3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride

C14H23ClN2O2 — CID 119739467

IUPAC3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)CC(C)N)c(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-7-18-12-5-6-13(10(2)8-12)16-14(17)9-11(3)15;/h5-6,8,11H,4,7,9,15H2,1-3H3,(H,16,17);1H
InChIKeyYQSKULRRBNQQKP-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.88
Rot. Bonds6

About 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride

3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride (PubChem CID 119739467) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
PubChem CID119739467
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)CC(C)N)c(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-7-18-12-5-6-13(10(2)8-12)16-14(17)9-11(3)15;/h5-6,8,11H,4,7,9,15H2,1-3H3,(H,16,17);1H
InChIKeyYQSKULRRBNQQKP-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
CID 119950312
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111453173
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride (CID 119739467) is 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride is CCCOc1ccc(NC(=O)CC(C)N)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride?
The InChIKey is YQSKULRRBNQQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-4-7-18-12-5-6-13(10(2)8-12)16-14(17)9-11(3)15;/h5-6,8,11H,4,7,9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride?
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119739467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).