N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

C18H30N2O3 — CID 119658416

IUPACN-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)CCC(N)C(C)C)cc(OC)c1
InChIInChI=1S/C18H30N2O3/c1-13(2)17(19)8-9-20(3)18(21)7-6-14-10-15(22-4)12-16(11-14)23-5/h10-13,17H,6-9,19H2,1-5H3
InChIKeySUQLAKBNDTWDMT-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.47
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 119658416) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
PubChem CID119658416
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)CCC(N)C(C)C)cc(OC)c1
InChIInChI=1S/C18H30N2O3/c1-13(2)17(19)8-9-20(3)18(21)7-6-14-10-15(22-4)12-16(11-14)23-5/h10-13,17H,6-9,19H2,1-5H3
InChIKeySUQLAKBNDTWDMT-UHFFFAOYSA-N
XLogP2.47
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide
CID 119659793
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (CID 119658416) is N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is COc1cc(CCC(=O)N(C)CCC(N)C(C)C)cc(OC)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is SUQLAKBNDTWDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13(2)17(19)8-9-20(3)18(21)7-6-14-10-15(22-4)12-16(11-14)23-5/h10-13,17H,6-9,19H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 119658416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).