N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide

C21H19NO4 — CID 47064295

IUPACN-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H19NO4/c1-3-12-22(14-15-8-10-16(25-2)11-9-15)21(24)20-13-18(23)17-6-4-5-7-19(17)26-20/h3-11,13H,1,12,14H2,2H3
InChIKeyHUVQUKSMKRCISD-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.63
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide

N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide (PubChem CID 47064295) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
PubChem CID47064295
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H19NO4/c1-3-12-22(14-15-8-10-16(25-2)11-9-15)21(24)20-13-18(23)17-6-4-5-7-19(17)26-20/h3-11,13H,1,12,14H2,2H3
InChIKeyHUVQUKSMKRCISD-UHFFFAOYSA-N
XLogP3.63
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 33078382
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
CID 78798389
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
5-bromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 55918848

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide (CID 47064295) is N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide is C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide?
The InChIKey is HUVQUKSMKRCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-3-12-22(14-15-8-10-16(25-2)11-9-15)21(24)20-13-18(23)17-6-4-5-7-19(17)26-20/h3-11,13H,1,12,14H2,2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide is sourced from PubChem (CID 47064295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).