2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride

C17H27ClN2O — CID 119795541

IUPAC2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCc1ccc(CC(C)N(C)C(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-4-6-15(7-5-13)10-14(2)19(3)17(20)12-18-11-16-8-9-16;/h4-7,14,16,18H,8-12H2,1-3H3;1H
InChIKeyHURPYCMYALMKLQ-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.81
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride (PubChem CID 119795541) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
PubChem CID119795541
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCc1ccc(CC(C)N(C)C(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-4-6-15(7-5-13)10-14(2)19(3)17(20)12-18-11-16-8-9-16;/h4-7,14,16,18H,8-12H2,1-3H3;1H
InChIKeyHURPYCMYALMKLQ-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795542
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795544
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
2-(cyclopropylmethylamino)-N-methyl-N-pentan-2-ylacetamide
CID 60865827
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
CID 54874331
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119795534
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119687041
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
CID 115708864
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
CID 99793411
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride (CID 119795541) is 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride is Cc1ccc(CC(C)N(C)C(=O)CNCC2CC2)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The InChIKey is HURPYCMYALMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13-4-6-15(7-5-13)10-14(2)19(3)17(20)12-18-11-16-8-9-16;/h4-7,14,16,18H,8-12H2,1-3H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119795541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).