2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide

C20H23ClN2O6 — CID 4085923

IUPAC2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide
SMILESCc1c(Cl)c(=O)oc2cc(OCC(=O)NC(CO)C(=O)NC3CCCC3)ccc12
InChIInChI=1S/C20H23ClN2O6/c1-11-14-7-6-13(8-16(14)29-20(27)18(11)21)28-10-17(25)23-15(9-24)19(26)22-12-4-2-3-5-12/h6-8,12,15,24H,2-5,9-10H2,1H3,(H,22,26)(H,23,25)
InChIKeyLDNPDCCYXNSITM-UHFFFAOYSA-N
MW422.87 g/mol
LogP1.67
Rot. Bonds7

About 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide

2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide (PubChem CID 4085923) has the molecular formula C20H23ClN2O6 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide
PubChem CID4085923
Molecular FormulaC20H23ClN2O6
Molecular Weight422.87 g/mol
Exact Mass422.12
IUPAC Name2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide
SMILESCc1c(Cl)c(=O)oc2cc(OCC(=O)NC(CO)C(=O)NC3CCCC3)ccc12
InChIInChI=1S/C20H23ClN2O6/c1-11-14-7-6-13(8-16(14)29-20(27)18(11)21)28-10-17(25)23-15(9-24)19(26)22-12-4-2-3-5-12/h6-8,12,15,24H,2-5,9-10H2,1H3,(H,22,26)(H,23,25)
InChIKeyLDNPDCCYXNSITM-UHFFFAOYSA-N
XLogP1.67
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-hydroxypropanamide
CID 4133859
(2S)-N-benzyl-2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-hydroxy-N-methylpropanamide
CID 6724288
N-benzyl-2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-hydroxy-N-methylpropanamide
CID 3430617
(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 6723110
2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 3699668
2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]acetamide
CID 4227978
2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioic acid
CID 71949431
(2S)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid
CID 906552
(2R)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid
CID 92509236
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
(2S)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoate
CID 7082355
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide?
The IUPAC name of 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide (CID 4085923) is 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide.
What is the SMILES notation for 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide?
The canonical SMILES for 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide is Cc1c(Cl)c(=O)oc2cc(OCC(=O)NC(CO)C(=O)NC3CCCC3)ccc12.
What is the InChIKey of 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide?
The InChIKey is LDNPDCCYXNSITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6/c1-11-14-7-6-13(8-16(14)29-20(27)18(11)21)28-10-17(25)23-15(9-24)19(26)22-12-4-2-3-5-12/h6-8,12,15,24H,2-5,9-10H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide?
2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide has a molecular weight of 422.87 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide is sourced from PubChem (CID 4085923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).