N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide

C21H22N2O4 — CID 41318549

IUPACN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N(C)C)cc1
InChIInChI=1S/C21H22N2O4/c1-23(2)18(14-8-10-16(26-3)11-9-14)13-22-20(24)17-12-15-6-4-5-7-19(15)27-21(17)25/h4-12,18H,13H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyOVPAPMOCZZXFEJ-SFHVURJKSA-N
MW366.42 g/mol
LogP2.83
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide

N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 41318549) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID41318549
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N(C)C)cc1
InChIInChI=1S/C21H22N2O4/c1-23(2)18(14-8-10-16(26-3)11-9-14)13-22-20(24)17-12-15-6-4-5-7-19(15)27-21(17)25/h4-12,18H,13H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyOVPAPMOCZZXFEJ-SFHVURJKSA-N
XLogP2.83
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 40849817
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 90598012
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate
CID 7044549
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide
CID 90583931
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 20962582
2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide (CID 41318549) is N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide is COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is OVPAPMOCZZXFEJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-23(2)18(14-8-10-16(26-3)11-9-14)13-22-20(24)17-12-15-6-4-5-7-19(15)27-21(17)25/h4-12,18H,13H2,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 41318549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).