4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride

C16H27ClN2O2 — CID 120560875

IUPAC4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(17)6-11-16(19)18(2)12-4-5-14-7-9-15(20-3)10-8-14;/h7-10,13H,4-6,11-12,17H2,1-3H3;1H
InChIKeySFWQDHYHSXAVJT-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.64
Rot. Bonds8

About 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride

4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride (PubChem CID 120560875) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
PubChem CID120560875
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(17)6-11-16(19)18(2)12-4-5-14-7-9-15(20-3)10-8-14;/h7-10,13H,4-6,11-12,17H2,1-3H3;1H
InChIKeySFWQDHYHSXAVJT-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119298042
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
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CID 119496458
N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119739239
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride (CID 120560875) is 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride is COc1ccc(CCCN(C)C(=O)CCC(C)N)cc1.Cl.
What is the InChIKey of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride?
The InChIKey is SFWQDHYHSXAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13(17)6-11-16(19)18(2)12-4-5-14-7-9-15(20-3)10-8-14;/h7-10,13H,4-6,11-12,17H2,1-3H3;1H.
What are the key properties of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride?
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 120560875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).