N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide

C12H21NO2 — CID 178173996

IUPACN-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-8(2)12(15)13-9(3)10-4-6-11(14)7-5-10/h9-11,14H,1,4-7H2,2-3H3,(H,13,15)
InChIKeyWYMDPNAZDIWSKO-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.62
Rot. Bonds3

About N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide

N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide (PubChem CID 178173996) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide
PubChem CID178173996
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-8(2)12(15)13-9(3)10-4-6-11(14)7-5-10/h9-11,14H,1,4-7H2,2-3H3,(H,13,15)
InChIKeyWYMDPNAZDIWSKO-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
2-(1-cyclobutylethylamino)-2-oxoacetic acid
CID 104768741
N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173987
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
N-(1-cyclobutylethyl)acetamide
CID 115769098
4-propan-2-ylcyclohexan-1-ol
CID 159817143
N-(2-aminoethyl)-N'-(1-cyclopropylethyl)oxamide
CID 43533108
3-(4-hydroxycyclohexyl)-4-methylpentan-2-one
CID 143544217
4-cyclopropyl-2-methylpent-1-en-3-one
CID 115780996
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide (CID 178173996) is N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)C1CCC(O)CC1.
What is the InChIKey of N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide?
The InChIKey is WYMDPNAZDIWSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)12(15)13-9(3)10-4-6-11(14)7-5-10/h9-11,14H,1,4-7H2,2-3H3,(H,13,15).
What are the key properties of N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide?
N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide has a molecular weight of 211.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 178173996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).