N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide

C18H26N2O2 — CID 171674975

IUPACN-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)c1ccccc1CN1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17-10-4-3-9-16(17)19-18(22)15-8-2-1-7-14(15)13-20-11-5-6-12-20/h1-2,7-8,16-17,21H,3-6,9-13H2,(H,19,22)/t16-,17+/m0/s1
InChIKeyCKJNJCQVBVXFFC-DLBZAZTESA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds4

About N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide

N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 171674975) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID171674975
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)c1ccccc1CN1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17-10-4-3-9-16(17)19-18(22)15-8-2-1-7-14(15)13-20-11-5-6-12-20/h1-2,7-8,16-17,21H,3-6,9-13H2,(H,19,22)/t16-,17+/m0/s1
InChIKeyCKJNJCQVBVXFFC-DLBZAZTESA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone
CID 24725341
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927739
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide
CID 12806258
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
1-hydroxy-N-(2-hydroxycyclohexyl)naphthalene-2-carboxamide
CID 62365090

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide (CID 171674975) is N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide is O=C(N[C@H]1CCCC[C@H]1O)c1ccccc1CN1CCCC1.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is CKJNJCQVBVXFFC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17-10-4-3-9-16(17)19-18(22)15-8-2-1-7-14(15)13-20-11-5-6-12-20/h1-2,7-8,16-17,21H,3-6,9-13H2,(H,19,22)/t16-,17+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 171674975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).