2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride

C12H19ClN2O — CID 119330311

IUPAC2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCc1cccc(C(C)(C)NC(=O)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)12(2,3)14-11(15)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H
InChIKeyHCHRARHHQYUNMO-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride

2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride (PubChem CID 119330311) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
PubChem CID119330311
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCc1cccc(C(C)(C)NC(=O)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)12(2,3)14-11(15)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H
InChIKeyHCHRARHHQYUNMO-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
CID 119795625
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
CID 20658639
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794223
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119338792

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride (CID 119330311) is 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride is Cc1cccc(C(C)(C)NC(=O)CN)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The InChIKey is HCHRARHHQYUNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)12(2,3)14-11(15)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride?
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119330311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).