N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide

C18H27N3O — CID 102525382

IUPACN-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C18H27N3O/c22-18(14-7-2-1-3-8-14)21-17-11-5-4-10-16(17)20-13-15-9-6-12-19-15/h1-3,7-8,15-17,19-20H,4-6,9-13H2,(H,21,22)/t15-,16+,17+/m0/s1
InChIKeyVUPABCPEQGJCNX-GVDBMIGSSA-N
MW301.43 g/mol
LogP2.07
Rot. Bonds5

About N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide

N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide (PubChem CID 102525382) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide
PubChem CID102525382
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C18H27N3O/c22-18(14-7-2-1-3-8-14)21-17-11-5-4-10-16(17)20-13-15-9-6-12-19-15/h1-3,7-8,15-17,19-20H,4-6,9-13H2,(H,21,22)/t15-,16+,17+/m0/s1
InChIKeyVUPABCPEQGJCNX-GVDBMIGSSA-N
XLogP2.07
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
CID 119514556
N-[2-(tritylamino)cyclohexyl]benzamide
CID 71814998
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide (CID 102525382) is N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@H]1NC[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide?
The InChIKey is VUPABCPEQGJCNX-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(14-7-2-1-3-8-14)21-17-11-5-4-10-16(17)20-13-15-9-6-12-19-15/h1-3,7-8,15-17,19-20H,4-6,9-13H2,(H,21,22)/t15-,16+,17+/m0/s1.
What are the key properties of N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide?
N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide has a molecular weight of 301.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide is sourced from PubChem (CID 102525382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).