N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide

C18H28N2O2 — CID 82174959

IUPACN-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCCC(N)c1cc2c(c(C)c1C)OCCC2NC(=O)CC
InChIInChI=1S/C18H28N2O2/c1-5-7-15(19)13-10-14-16(20-17(21)6-2)8-9-22-18(14)12(4)11(13)3/h10,15-16H,5-9,19H2,1-4H3,(H,20,21)
InChIKeyMJIRCNKQFGTNKM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.45
Rot. Bonds5

About N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide

N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 82174959) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID82174959
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCCC(N)c1cc2c(c(C)c1C)OCCC2NC(=O)CC
InChIInChI=1S/C18H28N2O2/c1-5-7-15(19)13-10-14-16(20-17(21)6-2)8-9-22-18(14)12(4)11(13)3/h10,15-16H,5-9,19H2,1-4H3,(H,20,21)
InChIKeyMJIRCNKQFGTNKM-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174947
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910
N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175049
N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 82175134
N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175005
N-[8-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175073
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175195
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174673
N-[8-(1-amino-2-methylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175138

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 82174959) is N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide is CCCC(N)c1cc2c(c(C)c1C)OCCC2NC(=O)CC.
What is the InChIKey of N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is MJIRCNKQFGTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-7-15(19)13-10-14-16(20-17(21)6-2)8-9-22-18(14)12(4)11(13)3/h10,15-16H,5-9,19H2,1-4H3,(H,20,21).
What are the key properties of N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.45, 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)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 82174959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).