N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide

C22H24N2O4 — CID 167498925

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide
SMILESCc1ccccc1-c1cc(=O)oc2cc(N(C)CC(=O)N[C@@H](C)CO)ccc12
InChIInChI=1S/C22H24N2O4/c1-14-6-4-5-7-17(14)19-11-22(27)28-20-10-16(8-9-18(19)20)24(3)12-21(26)23-15(2)13-25/h4-11,15,25H,12-13H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyHZZHWKABGLFDSF-HNNXBMFYSA-N
MW380.44 g/mol
LogP2.70
Rot. Bonds6

About N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide

N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide (PubChem CID 167498925) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide
PubChem CID167498925
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide
SMILESCc1ccccc1-c1cc(=O)oc2cc(N(C)CC(=O)N[C@@H](C)CO)ccc12
InChIInChI=1S/C22H24N2O4/c1-14-6-4-5-7-17(14)19-11-22(27)28-20-10-16(8-9-18(19)20)24(3)12-21(26)23-15(2)13-25/h4-11,15,25H,12-13H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyHZZHWKABGLFDSF-HNNXBMFYSA-N
XLogP2.70
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.70
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

CID 167498968
CID 167498968
2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 167499128
2-methyl-2-[[2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetyl]amino]propanoic acid
CID 167498923
tert-butyl 2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetate
CID 167498931
(3S)-3-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]butanoic acid
CID 167499263
3-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanamide
CID 167499125
2-[[4-(5-fluoro-2-methylphenyl)-2-oxochromen-7-yl]-methylamino]-N-(2-hydroxyethyl)acetamide
CID 167499002
CID 167499193
CID 167499193
(2R)-3-hydroxy-N,N-dimethyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]propanamide
CID 155099166
(3R)-3-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]butanoic acid
CID 167498989
(2S)-2-(methoxymethyl)-2-methyl-3-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanoic acid
CID 167498814
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide (CID 167498925) is N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide is Cc1ccccc1-c1cc(=O)oc2cc(N(C)CC(=O)N[C@@H](C)CO)ccc12.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide?
The InChIKey is HZZHWKABGLFDSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-6-4-5-7-17(14)19-11-22(27)28-20-10-16(8-9-18(19)20)24(3)12-21(26)23-15(2)13-25/h4-11,15,25H,12-13H2,1-3H3,(H,23,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2-[methyl-[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]acetamide is sourced from PubChem (CID 167498925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).