N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide

C18H26N2O2 — CID 82174676

IUPACN-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
SMILESCCC(C)C(N)c1ccc2c(c1)C(NC(=O)C1CC1)CCO2
InChIInChI=1S/C18H26N2O2/c1-3-11(2)17(19)13-6-7-16-14(10-13)15(8-9-22-16)20-18(21)12-4-5-12/h6-7,10-12,15,17H,3-5,8-9,19H2,1-2H3,(H,20,21)
InChIKeyJCJBXUKESJTOLW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.08
Rot. Bonds5

About N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide

N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide (PubChem CID 82174676) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
PubChem CID82174676
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
SMILESCCC(C)C(N)c1ccc2c(c1)C(NC(=O)C1CC1)CCO2
InChIInChI=1S/C18H26N2O2/c1-3-11(2)17(19)13-6-7-16-14(10-13)15(8-9-22-16)20-18(21)12-4-5-12/h6-7,10-12,15,17H,3-5,8-9,19H2,1-2H3,(H,20,21)
InChIKeyJCJBXUKESJTOLW-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174673
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588
N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82175025
N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 82174749
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174599
N-[6-[amino(cyclohexyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174592
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide (CID 82174676) is N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide is CCC(C)C(N)c1ccc2c(c1)C(NC(=O)C1CC1)CCO2.
What is the InChIKey of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
The InChIKey is JCJBXUKESJTOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-11(2)17(19)13-6-7-16-14(10-13)15(8-9-22-16)20-18(21)12-4-5-12/h6-7,10-12,15,17H,3-5,8-9,19H2,1-2H3,(H,20,21).
What are the key properties of N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide has a molecular weight of 302.42 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-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 82174676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).