N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide

C23H26N2O5 — CID 163547316

IUPACN-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
SMILESO=C(NC1COC2C(NC(O)c3ccc(Oc4ccccc4)cc3)COC12)C1CC1
InChIInChI=1S/C23H26N2O5/c26-22(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/h1-5,8-11,14,18-21,23,25,27H,6-7,12-13H2,(H,24,26)
InChIKeyFGDXUECKQKSDHK-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.12
Rot. Bonds7

About N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide

N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide (PubChem CID 163547316) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
PubChem CID163547316
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
SMILESO=C(NC1COC2C(NC(O)c3ccc(Oc4ccccc4)cc3)COC12)C1CC1
InChIInChI=1S/C23H26N2O5/c26-22(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/h1-5,8-11,14,18-21,23,25,27H,6-7,12-13H2,(H,24,26)
InChIKeyFGDXUECKQKSDHK-UHFFFAOYSA-N
XLogP2.12
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
N-[6-(5-phenoxytetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclohexanecarboxamide
CID 73134436
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 70968802
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-[(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,6S,6aR)-6-(4-phenyltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide
CID 11886725
4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide
CID 70968787
[(3S,3aR,6R,6aS)-3-(cyclobutanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
CID 11884094
N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide
CID 70968844
N-[(3S,3aR,6S,6aR)-3-[2-oxo-2-(3-phenoxyphenyl)ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 159028558
N-[(3S,3aR,6S,6aR)-6-[5-[4-(1,2,4-triazol-1-yl)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide
CID 11886256

Frequently Asked Questions

What is the IUPAC name of N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide (CID 163547316) is N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide is O=C(NC1COC2C(NC(O)c3ccc(Oc4ccccc4)cc3)COC12)C1CC1.
What is the InChIKey of N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The InChIKey is FGDXUECKQKSDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c26-22(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/h1-5,8-11,14,18-21,23,25,27H,6-7,12-13H2,(H,24,26).
What are the key properties of N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[hydroxy-(4-phenoxyphenyl)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163547316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).