N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide

C24H19NO4 — CID 2128769

IUPACN-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4/c26-22(16-28-20-13-11-17-12-14-23(27)29-21(17)15-20)25-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,24H,16H2,(H,25,26)
InChIKeyUYVPXVYIXUTWSM-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.08
Rot. Bonds6

About N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide

N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2128769) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2128769
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC NameN-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO4/c26-22(16-28-20-13-11-17-12-14-23(27)29-21(17)15-20)25-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,24H,16H2,(H,25,26)
InChIKeyUYVPXVYIXUTWSM-UHFFFAOYSA-N
XLogP4.08
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55750209
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 7565223
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2944649
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2195570
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
CID 40854125
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide (CID 2128769) is N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is UYVPXVYIXUTWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-22(16-28-20-13-11-17-12-14-23(27)29-21(17)15-20)25-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,24H,16H2,(H,25,26).
What are the key properties of N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide?
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 385.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2128769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).