(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride

C14H23ClN2O — CID 119297318

IUPAC(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)Cc1ccccc1C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-13(15)14(17)16-11(3)9-12-8-6-5-7-10(12)2;/h5-8,11,13H,4,9,15H2,1-3H3,(H,16,17);1H/t11?,13-;/m0./s1
InChIKeyVEFAWOGZXQKFLV-IYWIJXFJSA-N
MW270.80 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride

(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride (PubChem CID 119297318) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
PubChem CID119297318
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)Cc1ccccc1C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-13(15)14(17)16-11(3)9-12-8-6-5-7-10(12)2;/h5-8,11,13H,4,9,15H2,1-3H3,(H,16,17);1H/t11?,13-;/m0./s1
InChIKeyVEFAWOGZXQKFLV-IYWIJXFJSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
3-(ethylamino)-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 62851503
2-bromo-3-methyl-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 54867370
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
2-ethoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 61063462
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride (CID 119297318) is (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride is CC[C@H](N)C(=O)NC(C)Cc1ccccc1C.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride?
The InChIKey is VEFAWOGZXQKFLV-IYWIJXFJSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-13(15)14(17)16-11(3)9-12-8-6-5-7-10(12)2;/h5-8,11,13H,4,9,15H2,1-3H3,(H,16,17);1H/t11?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride?
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119297318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).