N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide

C26H24N2O3 — CID 9347720

IUPACN-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide
SMILESCc1cc2oc(=O)cc(CNc3ccccc3C(=O)NCc3ccccc3)c2cc1C
InChIInChI=1S/C26H24N2O3/c1-17-12-22-20(14-25(29)31-24(22)13-18(17)2)16-27-23-11-7-6-10-21(23)26(30)28-15-19-8-4-3-5-9-19/h3-14,27H,15-16H2,1-2H3,(H,28,30)
InChIKeyDOPRLXFMCFQYHM-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.95
Rot. Bonds6

About N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide

N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide (PubChem CID 9347720) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide
PubChem CID9347720
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide
SMILESCc1cc2oc(=O)cc(CNc3ccccc3C(=O)NCc3ccccc3)c2cc1C
InChIInChI=1S/C26H24N2O3/c1-17-12-22-20(14-25(29)31-24(22)13-18(17)2)16-27-23-11-7-6-10-21(23)26(30)28-15-19-8-4-3-5-9-19/h3-14,27H,15-16H2,1-2H3,(H,28,30)
InChIKeyDOPRLXFMCFQYHM-UHFFFAOYSA-N
XLogP4.95
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylamino]benzoic acid
CID 54047991
2-[(7-ethyl-2-oxochromen-4-yl)methylamino]-N-phenylbenzamide
CID 9347721
2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide
CID 9347174
4-[(1,2-dihydroacenaphthylen-5-ylamino)methyl]-6,7-dimethylchromen-2-one
CID 112804433
4-[(2-methoxy-5-methylanilino)methyl]-6,7-dimethylchromen-2-one
CID 9346800
N-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzamide
CID 16573647
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
CID 9256676
N-benzyl-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 35141061
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807783
2-(benzylamino)-N-butylbenzamide
CID 86102037

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide?
The IUPAC name of N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide (CID 9347720) is N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide?
The canonical SMILES for N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide is Cc1cc2oc(=O)cc(CNc3ccccc3C(=O)NCc3ccccc3)c2cc1C.
What is the InChIKey of N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide?
The InChIKey is DOPRLXFMCFQYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-12-22-20(14-25(29)31-24(22)13-18(17)2)16-27-23-11-7-6-10-21(23)26(30)28-15-19-8-4-3-5-9-19/h3-14,27H,15-16H2,1-2H3,(H,28,30).
What are the key properties of N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide?
N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide is sourced from PubChem (CID 9347720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).