4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride

C14H23ClN2O — CID 119745493

IUPAC4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-12-5-3-6-13(11-12)8-10-16-14(17)7-4-9-15-2;/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17);1H
InChIKeyPTYXBARCISMMAN-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.08
Rot. Bonds7

About 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride

4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride (PubChem CID 119745493) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
PubChem CID119745493
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-12-5-3-6-13(11-12)8-10-16-14(17)7-4-9-15-2;/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17);1H
InChIKeyPTYXBARCISMMAN-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride (CID 119745493) is 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride is CNCCCC(=O)NCCc1cccc(C)c1.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is PTYXBARCISMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-12-5-3-6-13(11-12)8-10-16-14(17)7-4-9-15-2;/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119745493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).