2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide

C23H25N3O4 — CID 70968802

IUPAC2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
SMILESO=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccccc1Nc1ccccc1
InChIInChI=1S/C23H25N3O4/c27-22(14-10-11-14)25-18-12-29-21-19(13-30-20(18)21)26-23(28)16-8-4-5-9-17(16)24-15-6-2-1-3-7-15/h1-9,14,18-21,24H,10-13H2,(H,25,27)(H,26,28)
InChIKeyVQTDJTJQMBVZPQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.22
Rot. Bonds6

About 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide

2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide (PubChem CID 70968802) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
PubChem CID70968802
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
SMILESO=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccccc1Nc1ccccc1
InChIInChI=1S/C23H25N3O4/c27-22(14-10-11-14)25-18-12-29-21-19(13-30-20(18)21)26-23(28)16-8-4-5-9-17(16)24-15-6-2-1-3-7-15/h1-9,14,18-21,24H,10-13H2,(H,25,27)(H,26,28)
InChIKeyVQTDJTJQMBVZPQ-UHFFFAOYSA-N
XLogP2.22
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide
CID 70968844
N-[2-(aminomethyl)cyclopentyl]-2-anilinobenzamide
CID 119601108
N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
CID 4942014
2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710336
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide
CID 43057660
2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
CID 126829215
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860799
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
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
bis(2-anilinophenyl)methanone
CID 141301141
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
The IUPAC name of 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide (CID 70968802) is 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide.
What is the SMILES notation for 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
The canonical SMILES for 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide is O=C(NC1COC2C(NC(=O)C3CC3)COC12)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
The InChIKey is VQTDJTJQMBVZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-22(14-10-11-14)25-18-12-29-21-19(13-30-20(18)21)26-23(28)16-8-4-5-9-17(16)24-15-6-2-1-3-7-15/h1-9,14,18-21,24H,10-13H2,(H,25,27)(H,26,28).
What are the key properties of 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide is sourced from PubChem (CID 70968802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).