N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide

C12H21NO3 — CID 136538686

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC(O)C1CC1)C1CCC(O)CC1
InChIInChI=1S/C12H21NO3/c14-10-5-3-9(4-6-10)12(16)13-7-11(15)8-1-2-8/h8-11,14-15H,1-7H2,(H,13,16)
InChIKeyGNLKWUVLSAYGAN-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.42
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide (PubChem CID 136538686) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
PubChem CID136538686
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC(O)C1CC1)C1CCC(O)CC1
InChIInChI=1S/C12H21NO3/c14-10-5-3-9(4-6-10)12(16)13-7-11(15)8-1-2-8/h8-11,14-15H,1-7H2,(H,13,16)
InChIKeyGNLKWUVLSAYGAN-UHFFFAOYSA-N
XLogP0.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
N-(2-cyclopropyl-2-hydroxyethyl)piperidine-3-carboxamide
CID 63297016
N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide
CID 114305037
N-(2-bromo-2-cyclopropylethyl)cyclopropanecarboxamide
CID 114315724
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 63297013
N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
CID 98268645
N-[(2R)-2,3-dihydroxypropyl]cyclobutanecarboxamide
CID 165487313
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55171583

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide (CID 136538686) is N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide is O=C(NCC(O)C1CC1)C1CCC(O)CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is GNLKWUVLSAYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-10-5-3-9(4-6-10)12(16)13-7-11(15)8-1-2-8/h8-11,14-15H,1-7H2,(H,13,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 136538686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).