N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide

C35H28N2O5 — CID 3435362

IUPACN-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccc4c(c2)OCO4)C3)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H28N2O5/c38-34(33(23-8-3-1-4-9-23)24-10-5-2-6-11-24)36-28-13-7-12-25(18-28)31-20-27-21-37(17-16-29(27)42-31)35(39)26-14-15-30-32(19-26)41-22-40-30/h1-15,18-20,33H,16-17,21-22H2,(H,36,38)
InChIKeyUAICUIFFEXBASE-UHFFFAOYSA-N
MW556.62 g/mol
LogP6.64
Rot. Bonds6

About N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide

N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 3435362) has the molecular formula C35H28N2O5 and a molecular weight of 556.62 g/mol. Its IUPAC name is N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide
PubChem CID3435362
Molecular FormulaC35H28N2O5
Molecular Weight556.62 g/mol
Exact Mass556.20
IUPAC NameN-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccc4c(c2)OCO4)C3)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H28N2O5/c38-34(33(23-8-3-1-4-9-23)24-10-5-2-6-11-24)36-28-13-7-12-25(18-28)31-20-27-21-37(17-16-29(27)42-31)35(39)26-14-15-30-32(19-26)41-22-40-30/h1-15,18-20,33H,16-17,21-22H2,(H,36,38)
InChIKeyUAICUIFFEXBASE-UHFFFAOYSA-N
XLogP6.64
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.62
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide
CID 3553046
N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylbutanamide
CID 3673230
N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide
CID 4216659
N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide
CID 3576803
2-fluoro-N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CID 42785234
N-[3-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
CID 42785230
N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-2-carboxamide
CID 5007619
N-[3-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
CID 42783986
4-fluoro-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CID 42784002
N-[3-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-methoxybenzamide
CID 4588443
N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
CID 42785279
N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
CID 42785271

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide (CID 3435362) is N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide is O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)c2ccc4c(c2)OCO4)C3)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide?
The InChIKey is UAICUIFFEXBASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O5/c38-34(33(23-8-3-1-4-9-23)24-10-5-2-6-11-24)36-28-13-7-12-25(18-28)31-20-27-21-37(17-16-29(27)42-31)35(39)26-14-15-30-32(19-26)41-22-40-30/h1-15,18-20,33H,16-17,21-22H2,(H,36,38).
What are the key properties of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide?
N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide has a molecular weight of 556.62 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 3435362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).