2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide

C20H19NO4 — CID 41180448

IUPAC2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H19NO4/c1-13(14-6-4-3-5-7-14)21-19(22)10-15-11-20(23)25-18-12-16(24-2)8-9-17(15)18/h3-9,11-13H,10H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyNVNVKOWMKQDQQB-ZDUSSCGKSA-N
MW337.38 g/mol
LogP3.22
Rot. Bonds5

About 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 41180448) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID41180448
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H19NO4/c1-13(14-6-4-3-5-7-14)21-19(22)10-15-11-20(23)25-18-12-16(24-2)8-9-17(15)18/h3-9,11-13H,10H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyNVNVKOWMKQDQQB-ZDUSSCGKSA-N
XLogP3.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.22
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

(7-methoxy-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate
CID 7227766
(7-methoxy-2-oxochromen-4-yl)methyl-[(1R)-1-phenylethyl]azanium
CID 2714020
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-7-methoxychromen-2-one
CID 8919735
(7-methoxy-2-oxochromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate
CID 7806445
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 7699880
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
2-(7-methoxy-2-oxochromen-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170797
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 41180448) is 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide is COc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is NVNVKOWMKQDQQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(14-6-4-3-5-7-14)21-19(22)10-15-11-20(23)25-18-12-16(24-2)8-9-17(15)18/h3-9,11-13H,10H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 41180448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).