N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

C18H31ClN2O4 — CID 119660409

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)N(C)CCC(N)C(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C18H30N2O4.ClH/c1-12(2)14(19)7-8-20(3)17(21)11-13-9-15(22-4)18(24-6)16(10-13)23-5;/h9-10,12,14H,7-8,11,19H2,1-6H3;1H
InChIKeyPMQYYZKTOFRPAI-UHFFFAOYSA-N
MW374.91 g/mol
LogP2.51
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (PubChem CID 119660409) has the molecular formula C18H31ClN2O4 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
PubChem CID119660409
Molecular FormulaC18H31ClN2O4
Molecular Weight374.91 g/mol
Exact Mass374.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)N(C)CCC(N)C(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C18H30N2O4.ClH/c1-12(2)14(19)7-8-20(3)17(21)11-13-9-15(22-4)18(24-6)16(10-13)23-5;/h9-10,12,14H,7-8,11,19H2,1-6H3;1H
InChIKeyPMQYYZKTOFRPAI-UHFFFAOYSA-N
XLogP2.51
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
CID 119658162
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 119658416
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-(3-amino-4-methylpentyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylacetamide;hydrochloride
CID 119658902
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride
CID 119660170
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (CID 119660409) is N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is COc1cc(CC(=O)N(C)CCC(N)C(C)C)cc(OC)c1OC.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is PMQYYZKTOFRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4.ClH/c1-12(2)14(19)7-8-20(3)17(21)11-13-9-15(22-4)18(24-6)16(10-13)23-5;/h9-10,12,14H,7-8,11,19H2,1-6H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119660409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).