4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride

C14H23ClN2O4 — CID 119808116

IUPAC4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(OC)c(OC)cc1OC.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-15-7-5-6-14(17)16-10-8-12(19-3)13(20-4)9-11(10)18-2;/h8-9,15H,5-7H2,1-4H3,(H,16,17);1H
InChIKeyUOEQNTIGOTWGKK-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.07
Rot. Bonds8

About 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride

4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride (PubChem CID 119808116) has the molecular formula C14H23ClN2O4 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
PubChem CID119808116
Molecular FormulaC14H23ClN2O4
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC Name4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(OC)c(OC)cc1OC.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-15-7-5-6-14(17)16-10-8-12(19-3)13(20-4)9-11(10)18-2;/h8-9,15H,5-7H2,1-4H3,(H,16,17);1H
InChIKeyUOEQNTIGOTWGKK-UHFFFAOYSA-N
XLogP2.07
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.07
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

N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119751510
methyl 3,4-dimethoxy-5-[4-(methylamino)butanoylamino]benzoate
CID 119803077
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115197735
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(2-acetamido-4,5-difluorophenyl)-4-(methylamino)butanamide;hydrochloride
CID 119757467
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride (CID 119808116) is 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(OC)c(OC)cc1OC.Cl.
What is the InChIKey of 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride?
The InChIKey is UOEQNTIGOTWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4.ClH/c1-15-7-5-6-14(17)16-10-8-12(19-3)13(20-4)9-11(10)18-2;/h8-9,15H,5-7H2,1-4H3,(H,16,17);1H.
What are the key properties of 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride?
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119808116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).