N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide

C17H26N2O2 — CID 82174629

IUPACN-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
SMILESCCCC(N)c1ccc2c(c1)C(NC(=O)C(C)C)CCO2
InChIInChI=1S/C17H26N2O2/c1-4-5-14(18)12-6-7-16-13(10-12)15(8-9-21-16)19-17(20)11(2)3/h6-7,10-11,14-15H,4-5,8-9,18H2,1-3H3,(H,19,20)
InChIKeyZGDKSZRRBPFQQH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds5

About N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide

N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide (PubChem CID 82174629) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
PubChem CID82174629
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
SMILESCCCC(N)c1ccc2c(c1)C(NC(=O)C(C)C)CCO2
InChIInChI=1S/C17H26N2O2/c1-4-5-14(18)12-6-7-16-13(10-12)15(8-9-21-16)19-17(20)11(2)3/h6-7,10-11,14-15H,4-5,8-9,18H2,1-3H3,(H,19,20)
InChIKeyZGDKSZRRBPFQQH-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174673
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174676
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174599
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
N-[6-[amino(cyclohexyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174592
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide (CID 82174629) is N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide is CCCC(N)c1ccc2c(c1)C(NC(=O)C(C)C)CCO2.
What is the InChIKey of N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide?
The InChIKey is ZGDKSZRRBPFQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-14(18)12-6-7-16-13(10-12)15(8-9-21-16)19-17(20)11(2)3/h6-7,10-11,14-15H,4-5,8-9,18H2,1-3H3,(H,19,20).
What are the key properties of N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide?
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide is sourced from PubChem (CID 82174629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).