(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

C13H23NO2 — CID 58817605

IUPAC(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCCC1CCC(NC(=O)[C@H]2CC2CO)CC1
InChIInChI=1S/C13H23NO2/c1-2-9-3-5-11(6-4-9)14-13(16)12-7-10(12)8-15/h9-12,15H,2-8H2,1H3,(H,14,16)/t9?,10?,11?,12-/m0/s1
InChIKeyWDPPNUBAHIUGBK-ROAFRPBMSA-N
MW225.33 g/mol
LogP1.70
Rot. Bonds4

About (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 58817605) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID58817605
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCCC1CCC(NC(=O)[C@H]2CC2CO)CC1
InChIInChI=1S/C13H23NO2/c1-2-9-3-5-11(6-4-9)14-13(16)12-7-10(12)8-15/h9-12,15H,2-8H2,1H3,(H,14,16)/t9?,10?,11?,12-/m0/s1
InChIKeyWDPPNUBAHIUGBK-ROAFRPBMSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide
CID 153443780
3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 55115083
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
(E)-4-[(4-ethylcyclohexyl)amino]-4-oxobut-2-enoic acid
CID 82239004
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
cis-(1S,2S)-2-(hydroxymethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 167023233
N-(4-ethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429662
N-(4-ethylcyclohexyl)-2-hydrazinyl-2-oxoacetamide
CID 61468289
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78981785
N-(4-ethylcyclohexyl)-2-methoxypropanamide
CID 115588230

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 58817605) is (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is CCC1CCC(NC(=O)[C@H]2CC2CO)CC1.
What is the InChIKey of (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is WDPPNUBAHIUGBK-ROAFRPBMSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-9-3-5-11(6-4-9)14-13(16)12-7-10(12)8-15/h9-12,15H,2-8H2,1H3,(H,14,16)/t9?,10?,11?,12-/m0/s1.
What are the key properties of (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58817605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).