N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

C24H25NO4 — CID 6557652

IUPACN-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCCc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C24H25NO4/c1-2-17-9-11-18(12-10-17)15-25(16-20-7-5-13-28-20)23(26)21-14-19-6-3-4-8-22(19)29-24(21)27/h3-4,6,8-12,14,20H,2,5,7,13,15-16H2,1H3/t20-/m0/s1
InChIKeyWRMCTULXROAEGO-FQEVSTJZSA-N
MW391.47 g/mol
LogP4.18
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 6557652) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID6557652
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCCc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C24H25NO4/c1-2-17-9-11-18(12-10-17)15-25(16-20-7-5-13-28-20)23(26)21-14-19-6-3-4-8-22(19)29-24(21)27/h3-4,6,8-12,14,20H,2,5,7,13,15-16H2,1H3/t20-/m0/s1
InChIKeyWRMCTULXROAEGO-FQEVSTJZSA-N
XLogP4.18
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3221325
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 24678704
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1433078
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821378
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 6557652) is N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is CCc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is WRMCTULXROAEGO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-17-9-11-18(12-10-17)15-25(16-20-7-5-13-28-20)23(26)21-14-19-6-3-4-8-22(19)29-24(21)27/h3-4,6,8-12,14,20H,2,5,7,13,15-16H2,1H3/t20-/m0/s1.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 6557652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).