4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride

C15H25ClN2O4 — CID 120560098

IUPAC4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CCC(C)N)c(OC)c1OC.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-10(16)5-8-13(18)17-9-11-6-7-12(19-2)15(21-4)14(11)20-3;/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18);1H
InChIKeyUCSGEBHHPAXJJT-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.88
Rot. Bonds8

About 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride

4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride (PubChem CID 120560098) has the molecular formula C15H25ClN2O4 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
PubChem CID120560098
Molecular FormulaC15H25ClN2O4
Molecular Weight332.83 g/mol
Exact Mass332.15
IUPAC Name4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CCC(C)N)c(OC)c1OC.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-10(16)5-8-13(18)17-9-11-6-7-12(19-2)15(21-4)14(11)20-3;/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18);1H
InChIKeyUCSGEBHHPAXJJT-UHFFFAOYSA-N
XLogP1.88
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559352
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
CID 115154202
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride (CID 120560098) is 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride is COc1ccc(CNC(=O)CCC(C)N)c(OC)c1OC.Cl.
What is the InChIKey of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is UCSGEBHHPAXJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.ClH/c1-10(16)5-8-13(18)17-9-11-6-7-12(19-2)15(21-4)14(11)20-3;/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride?
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).