2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

C12H19ClN2O — CID 119672801

IUPAC2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9(2)10-4-6-11(7-5-10)14-12(15)8-13-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyPHHXEFYGILEWLV-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.39
Rot. Bonds4

About 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 119672801) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID119672801
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9(2)10-4-6-11(7-5-10)14-12(15)8-13-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyPHHXEFYGILEWLV-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
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2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119704527
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108994500
4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]butanoic acid
CID 43473710
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
2-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 14879850

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (CID 119672801) is 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride is CNCC(=O)Nc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is PHHXEFYGILEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9(2)10-4-6-11(7-5-10)14-12(15)8-13-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119672801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).