N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide

C46H49N5O9 — CID 158992215

IUPACN-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
SMILESC=C(NC1COC2C(NC(=O)c3cccc(Oc4cccnc4)c3)COC12)C1CC1.O=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H25N3O4.C23H24N2O5/c1-14(15-7-8-15)25-19-12-28-22-20(13-29-21(19)22)26-23(27)16-4-2-5-17(10-16)30-18-6-3-9-24-11-18;26-22(14-6-7-14)24-18-12-28-21-19(13-29-20(18)21)25-23(27)15-8-10-17(11-9-15)30-16-4-2-1-3-5-16/h2-6,9-11,15,19-22,25H,1,7-8,12-13H2,(H,26,27);1-5,8-11,14,18-21H,6-7,12-13H2,(H,24,26)(H,25,27)
InChIKeyJQHLSBSGTXFDBF-UHFFFAOYSA-N
MW815.92 g/mol
LogP4.92
Rot. Bonds13

About N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide

N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide (PubChem CID 158992215) has the molecular formula C46H49N5O9 and a molecular weight of 815.92 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
PubChem CID158992215
Molecular FormulaC46H49N5O9
Molecular Weight815.92 g/mol
Exact Mass815.35
IUPAC NameN-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
SMILESC=C(NC1COC2C(NC(=O)c3cccc(Oc4cccnc4)c3)COC12)C1CC1.O=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H25N3O4.C23H24N2O5/c1-14(15-7-8-15)25-19-12-28-22-20(13-29-21(19)22)26-23(27)16-4-2-5-17(10-16)30-18-6-3-9-24-11-18;26-22(14-6-7-14)24-18-12-28-21-19(13-29-20(18)21)25-23(27)15-8-10-17(11-9-15)30-16-4-2-1-3-5-16/h2-6,9-11,15,19-22,25H,1,7-8,12-13H2,(H,26,27);1-5,8-11,14,18-21H,6-7,12-13H2,(H,24,26)(H,25,27)
InChIKeyJQHLSBSGTXFDBF-UHFFFAOYSA-N
XLogP4.92
TPSA167.60 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.92
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide with MolForge

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Related Compounds

N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860762
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 163547316
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860821
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
N-[(3S,3aR,6S,6aR)-3-[2-[3-(2-methoxyphenoxy)phenyl]-2-oxoethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 159364300
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide (CID 158992215) is N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide is C=C(NC1COC2C(NC(=O)c3cccc(Oc4cccnc4)c3)COC12)C1CC1.O=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
The InChIKey is JQHLSBSGTXFDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.C23H24N2O5/c1-14(15-7-8-15)25-19-12-28-22-20(13-29-21(19)22)26-23(27)16-4-2-5-17(10-16)30-18-6-3-9-24-11-18;26-22(14-6-7-14)24-18-12-28-21-19(13-29-20(18)21)25-23(27)15-8-10-17(11-9-15)30-16-4-2-1-3-5-16/h2-6,9-11,15,19-22,25H,1,7-8,12-13H2,(H,26,27);1-5,8-11,14,18-21H,6-7,12-13H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide has a molecular weight of 815.92 g/mol, XLogP of 4.92, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide is sourced from PubChem (CID 158992215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).