4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride

C15H25ClN2O4 — CID 119320840

IUPAC4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)CCCN)c(OC)c1.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-19-11-9-13(20-2)12(14(10-11)21-3)6-8-17-15(18)5-4-7-16;/h9-10H,4-8,16H2,1-3H3,(H,17,18);1H
InChIKeyZEYXFKAPNXTUSI-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.53
Rot. Bonds9

About 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride

4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride (PubChem CID 119320840) has the molecular formula C15H25ClN2O4 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
PubChem CID119320840
Molecular FormulaC15H25ClN2O4
Molecular Weight332.83 g/mol
Exact Mass332.15
IUPAC Name4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)CCCN)c(OC)c1.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-19-11-9-13(20-2)12(14(10-11)21-3)6-8-17-15(18)5-4-7-16;/h9-10H,4-8,16H2,1-3H3,(H,17,18);1H
InChIKeyZEYXFKAPNXTUSI-UHFFFAOYSA-N
XLogP1.53
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
CID 119778871
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine
CID 115197367
4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
CID 115155399
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
CID 119788188
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115155305
2-amino-2-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119320830
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride (CID 119320840) is 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride is COc1cc(OC)c(CCNC(=O)CCCN)c(OC)c1.Cl.
What is the InChIKey of 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is ZEYXFKAPNXTUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.ClH/c1-19-11-9-13(20-2)12(14(10-11)21-3)6-8-17-15(18)5-4-7-16;/h9-10H,4-8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride?
4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119320840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).