N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide

C25H22N2O4 — CID 17251997

IUPACN-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)c1
InChIInChI=1S/C25H22N2O4/c1-30-19-11-7-10-18(14-19)15-22(28)27-24-23(26-16-17-8-3-2-4-9-17)20-12-5-6-13-21(20)31-25(24)29/h2-14,26H,15-16H2,1H3,(H,27,28)
InChIKeyJANAHFAFHXUZGC-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.59
Rot. Bonds7

About N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide

N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 17251997) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID17251997
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)c1
InChIInChI=1S/C25H22N2O4/c1-30-19-11-7-10-18(14-19)15-22(28)27-24-23(26-16-17-8-3-2-4-9-17)20-12-5-6-13-21(20)31-25(24)29/h2-14,26H,15-16H2,1H3,(H,27,28)
InChIKeyJANAHFAFHXUZGC-UHFFFAOYSA-N
XLogP4.59
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4,5-trimethoxybenzamide
CID 17252005
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzamide
CID 17252009
N-[4-(benzylamino)-2-oxochromen-3-yl]benzamide
CID 17251986
1-[4-(benzylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 50763402
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 50778708
ethyl 4-(benzylamino)-2-oxochromene-3-carboxylate
CID 170872042
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433885
4-amino-3-[(Z)-3-amino-4-(3-methoxyphenyl)but-2-en-2-yl]chromen-2-one
CID 171804216

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide (CID 17251997) is N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)c1.
What is the InChIKey of N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is JANAHFAFHXUZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-30-19-11-7-10-18(14-19)15-22(28)27-24-23(26-16-17-8-3-2-4-9-17)20-12-5-6-13-21(20)31-25(24)29/h2-14,26H,15-16H2,1H3,(H,27,28).
What are the key properties of N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 414.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 17251997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).