N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide

C24H32N2O — CID 99718052

IUPACN,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide
SMILESCN(C)C(=O)c1cccc(CCN[C@H]2CCC[C@@H]2CCc2ccccc2)c1
InChIInChI=1S/C24H32N2O/c1-26(2)24(27)22-12-6-10-20(18-22)16-17-25-23-13-7-11-21(23)15-14-19-8-4-3-5-9-19/h3-6,8-10,12,18,21,23,25H,7,11,13-17H2,1-2H3/t21-,23+/m1/s1
InChIKeyZAMHNOMJPXZDFV-GGAORHGYSA-N
MW364.53 g/mol
LogP4.32
Rot. Bonds8

About N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide

N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide (PubChem CID 99718052) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide
PubChem CID99718052
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide
SMILESCN(C)C(=O)c1cccc(CCN[C@H]2CCC[C@@H]2CCc2ccccc2)c1
InChIInChI=1S/C24H32N2O/c1-26(2)24(27)22-12-6-10-20(18-22)16-17-25-23-13-7-11-21(23)15-14-19-8-4-3-5-9-19/h3-6,8-10,12,18,21,23,25H,7,11,13-17H2,1-2H3/t21-,23+/m1/s1
InChIKeyZAMHNOMJPXZDFV-GGAORHGYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid
CID 125471913
3-[2-[[N-ethyl-N'-[(2-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668574
3-[2-[[N-ethyl-N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669888
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
3-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111771188
3-[(2-ethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 115928650
3-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111668254
3-[2-[[N'-[2-[cyclohexyl(methyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668019
3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
CID 122031906
3-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111670275

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide (CID 99718052) is N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide is CN(C)C(=O)c1cccc(CCN[C@H]2CCC[C@@H]2CCc2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide?
The InChIKey is ZAMHNOMJPXZDFV-GGAORHGYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-26(2)24(27)22-12-6-10-20(18-22)16-17-25-23-13-7-11-21(23)15-14-19-8-4-3-5-9-19/h3-6,8-10,12,18,21,23,25H,7,11,13-17H2,1-2H3/t21-,23+/m1/s1.
What are the key properties of N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide?
N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide has a molecular weight of 364.53 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide is sourced from PubChem (CID 99718052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).