2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide

C27H24N2O5 — CID 3413502

IUPAC2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide
SMILESCOc1cccc(NC(=O)C2(C3=Cc4ccccc4OC3)CC(=O)N2c2cccc(OC)c2)c1
InChIInChI=1S/C27H24N2O5/c1-32-22-10-5-8-20(14-22)28-26(31)27(19-13-18-7-3-4-12-24(18)34-17-19)16-25(30)29(27)21-9-6-11-23(15-21)33-2/h3-15H,16-17H2,1-2H3,(H,28,31)
InChIKeyFPYBPGAYZCFBRT-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.29
Rot. Bonds6

About 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide

2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide (PubChem CID 3413502) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound Name2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide
PubChem CID3413502
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide
SMILESCOc1cccc(NC(=O)C2(C3=Cc4ccccc4OC3)CC(=O)N2c2cccc(OC)c2)c1
InChIInChI=1S/C27H24N2O5/c1-32-22-10-5-8-20(14-22)28-26(31)27(19-13-18-7-3-4-12-24(18)34-17-19)16-25(30)29(27)21-9-6-11-23(15-21)33-2/h3-15H,16-17H2,1-2H3,(H,28,31)
InChIKeyFPYBPGAYZCFBRT-UHFFFAOYSA-N
XLogP4.29
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
CID 34778072
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CID 7465050
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
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1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-(3-methoxyphenyl)-3-(5-oxo-2H-furan-3-yl)urea
CID 18330655
2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3729921
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 51046883
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968

Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide (CID 3413502) is 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide is COc1cccc(NC(=O)C2(C3=Cc4ccccc4OC3)CC(=O)N2c2cccc(OC)c2)c1.
What is the InChIKey of 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
The InChIKey is FPYBPGAYZCFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-32-22-10-5-8-20(14-22)28-26(31)27(19-13-18-7-3-4-12-24(18)34-17-19)16-25(30)29(27)21-9-6-11-23(15-21)33-2/h3-15H,16-17H2,1-2H3,(H,28,31).
What are the key properties of 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3413502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).