N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide

C16H18N2O3 — CID 119616565

IUPACN-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CC2)c(=O)oc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-9-11-4-2-3-5-13(11)21-16(20)14(9)15(19)18-12(8-17)10-6-7-10/h2-5,10,12H,6-8,17H2,1H3,(H,18,19)
InChIKeyGQJDVXGOFOCXBU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.57
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide (PubChem CID 119616565) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
PubChem CID119616565
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CC2)c(=O)oc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-9-11-4-2-3-5-13(11)21-16(20)14(9)15(19)18-12(8-17)10-6-7-10/h2-5,10,12H,6-8,17H2,1H3,(H,18,19)
InChIKeyGQJDVXGOFOCXBU-UHFFFAOYSA-N
XLogP1.57
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119477940
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119477939
N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 119617716
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 91644124
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544
N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
N-(2-amino-1-cyclopropylethyl)-3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 119617081
N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119642890
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 119614460

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide (CID 119616565) is N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide is Cc1c(C(=O)NC(CN)C2CC2)c(=O)oc2ccccc12.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide?
The InChIKey is GQJDVXGOFOCXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-11-4-2-3-5-13(11)21-16(20)14(9)15(19)18-12(8-17)10-6-7-10/h2-5,10,12H,6-8,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 119616565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).