N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

C16H27ClN2O4 — CID 119430660

IUPACN-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1cc(OC)c(OC)c(OC)c1.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-17-8-5-9-18-15(19)7-6-12-10-13(20-2)16(22-4)14(11-12)21-3;/h10-11,17H,5-9H2,1-4H3,(H,18,19);1H
InChIKeyJHVMJDADSALXIV-UHFFFAOYSA-N
MW346.86 g/mol
LogP1.79
Rot. Bonds10

About N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119430660) has the molecular formula C16H27ClN2O4 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID119430660
Molecular FormulaC16H27ClN2O4
Molecular Weight346.86 g/mol
Exact Mass346.17
IUPAC NameN-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1cc(OC)c(OC)c(OC)c1.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-17-8-5-9-18-15(19)7-6-12-10-13(20-2)16(22-4)14(11-12)21-3;/h10-11,17H,5-9H2,1-4H3,(H,18,19);1H
InChIKeyJHVMJDADSALXIV-UHFFFAOYSA-N
XLogP1.79
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43045435
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119763447
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N-[2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 127021007

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (CID 119430660) is N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is CNCCCNC(=O)CCc1cc(OC)c(OC)c(OC)c1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is JHVMJDADSALXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4.ClH/c1-17-8-5-9-18-15(19)7-6-12-10-13(20-2)16(22-4)14(11-12)21-3;/h10-11,17H,5-9H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119430660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).