N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide

C15H21NO2 — CID 110693378

IUPACN-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21NO2/c1-3-4-9-16(2)15(17)13-7-8-14-12(11-13)6-5-10-18-14/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyYRCARPCZJACPHF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.88
Rot. Bonds4

About N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide

N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 110693378) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID110693378
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21NO2/c1-3-4-9-16(2)15(17)13-7-8-14-12(11-13)6-5-10-18-14/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyYRCARPCZJACPHF-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-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

1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 131913448
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
4-(3,4-dihydro-2H-chromen-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500042
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 110693378) is N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is CCCCN(C)C(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is YRCARPCZJACPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-4-9-16(2)15(17)13-7-8-14-12(11-13)6-5-10-18-14/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 110693378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).