N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide

C18H29N3O — CID 166268949

IUPACN-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCc1cccc(C(=O)N[C@@H]2CC[C@H](N(C)C)C2)c1
InChIInChI=1S/C18H29N3O/c1-20(2)11-10-14-6-5-7-15(12-14)18(22)19-16-8-9-17(13-16)21(3)4/h5-7,12,16-17H,8-11,13H2,1-4H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyVOHYSNAXMYBVCB-SJORKVTESA-N
MW303.45 g/mol
LogP2.00
Rot. Bonds6

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

N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide (PubChem CID 166268949) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide
PubChem CID166268949
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCc1cccc(C(=O)N[C@@H]2CC[C@H](N(C)C)C2)c1
InChIInChI=1S/C18H29N3O/c1-20(2)11-10-14-6-5-7-15(12-14)18(22)19-16-8-9-17(13-16)21(3)4/h5-7,12,16-17H,8-11,13H2,1-4H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyVOHYSNAXMYBVCB-SJORKVTESA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)cyclopentyl]-4-ethylbenzamide
CID 75396929
3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
CID 119889091
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;hydroiodide
CID 110990532
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide (CID 166268949) is N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide is CN(C)CCc1cccc(C(=O)N[C@@H]2CC[C@H](N(C)C)C2)c1.
What is the InChIKey of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is VOHYSNAXMYBVCB-SJORKVTESA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)11-10-14-6-5-7-15(12-14)18(22)19-16-8-9-17(13-16)21(3)4/h5-7,12,16-17H,8-11,13H2,1-4H3,(H,19,22)/t16-,17+/m1/s1.
What are the key properties of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide?
N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 166268949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).