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

C14H23ClN2O2 — CID 119280468

IUPAC2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C(N)C(C)C)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-9(2)13(15)14(17)16-11-5-7-12(8-6-11)18-10(3)4;/h5-10,13H,15H2,1-4H3,(H,16,17);1H
InChIKeyMXUINZIKMQYUSS-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.82
Rot. Bonds5

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

2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride (PubChem CID 119280468) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
PubChem CID119280468
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C(N)C(C)C)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-9(2)13(15)14(17)16-11-5-7-12(8-6-11)18-10(3)4;/h5-10,13H,15H2,1-4H3,(H,16,17);1H
InChIKeyMXUINZIKMQYUSS-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
2-amino-3-methyl-N-(4-prop-2-enoxyphenyl)butanamide
CID 112501590
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76925332

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride (CID 119280468) is 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride is CC(C)Oc1ccc(NC(=O)C(N)C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride?
The InChIKey is MXUINZIKMQYUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-9(2)13(15)14(17)16-11-5-7-12(8-6-11)18-10(3)4;/h5-10,13H,15H2,1-4H3,(H,16,17);1H.
What are the key properties of 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride?
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119280468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).