3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride

C15H25ClN2O — CID 119323120

IUPAC3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)CCN.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11(2)10-14(17-15(18)8-9-16)13-7-5-4-6-12(13)3;/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18);1H
InChIKeyKRUUKXAHVJPWNH-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.97
Rot. Bonds6

About 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride

3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride (PubChem CID 119323120) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
PubChem CID119323120
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)CCN.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11(2)10-14(17-15(18)8-9-16)13-7-5-4-6-12(13)3;/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18);1H
InChIKeyKRUUKXAHVJPWNH-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
CID 119782823
N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119585603
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793021
2-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119184887
N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 129393193
4-hydroxy-N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]thiane-4-carboxamide
CID 97330041
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
CID 119323136
1-[3-methyl-1-(2-methylphenyl)butyl]-3-pyridazin-3-ylurea
CID 126775065

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride (CID 119323120) is 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride is Cc1ccccc1C(CC(C)C)NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride?
The InChIKey is KRUUKXAHVJPWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-11(2)10-14(17-15(18)8-9-16)13-7-5-4-6-12(13)3;/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride?
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride is sourced from PubChem (CID 119323120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).