2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride

C18H29ClN2O — CID 119808436

IUPAC2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)CNCC1CC1)C(C)(C)C.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-7-5-6-8-15(13)17(18(2,3)4)20-16(21)12-19-11-14-9-10-14;/h5-8,14,17,19H,9-12H2,1-4H3,(H,20,21);1H
InChIKeyZKWXYXBECOYOIU-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.62
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride (PubChem CID 119808436) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
PubChem CID119808436
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)CNCC1CC1)C(C)(C)C.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-7-5-6-8-15(13)17(18(2,3)4)20-16(21)12-19-11-14-9-10-14;/h5-8,14,17,19H,9-12H2,1-4H3,(H,20,21);1H
InChIKeyZKWXYXBECOYOIU-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride (CID 119808436) is 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride is Cc1ccccc1C(NC(=O)CNCC1CC1)C(C)(C)C.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride?
The InChIKey is ZKWXYXBECOYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13-7-5-6-8-15(13)17(18(2,3)4)20-16(21)12-19-11-14-9-10-14;/h5-8,14,17,19H,9-12H2,1-4H3,(H,20,21);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119808436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).