N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide

C12H20N2O2 — CID 58186121

IUPACN-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(C)CCCCC1
InChIInChI=1S/C12H20N2O2/c1-3-10(15)13-9-11(16)14-12(2)7-5-4-6-8-12/h3H,1,4-9H2,2H3,(H,13,15)(H,14,16)
InChIKeyISIFAMIYTWZGCO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.13
Rot. Bonds4

About N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide

N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide (PubChem CID 58186121) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
PubChem CID58186121
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(C)CCCCC1
InChIInChI=1S/C12H20N2O2/c1-3-10(15)13-9-11(16)14-12(2)7-5-4-6-8-12/h3H,1,4-9H2,2H3,(H,13,15)(H,14,16)
InChIKeyISIFAMIYTWZGCO-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-allyl-N'-(2-methylcyclohexyl)ethanediamide
CID 2954922
N-[({[4-(difluoromethyl)cyclohexyl]methyl}carbamoyl)methyl]-N-methylprop-2-enamide
CID 145903819
N-ethyl-N-({[(1-fluorocyclohexyl)methyl]carbamoyl}methyl)prop-2-enamide
CID 145906347
N-({[(4,4-difluorocyclohexyl)methyl]carbamoyl}methyl)-N-ethylprop-2-enamide
CID 145906353
N-({[1-(difluoromethyl)cyclohexyl]carbamoyl}methyl)-N-ethylprop-2-enamide
CID 145906364
N-({[(4,4-difluorocyclohexyl)methyl]carbamoyl}methyl)-N-methylprop-2-enamide
CID 145907926
N-{[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]methyl}-N-methylprop-2-enamide
CID 154796737
N'-(2-ethylhexyl)-N-prop-2-enyloxamide
CID 2917280
N,N'-[Cyclohexane-1,4-diylbis(methylene)]di(prop-2-enamide)
CID 20212926
2-methyl-N-octadecyl-2-(prop-2-enoylamino)propanamide
CID 21847254
N'-tert-butyl-N-(cyclohexylmethyl)oxamide
CID 45585504
2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
CID 58186006

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide (CID 58186121) is N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC1(C)CCCCC1.
What is the InChIKey of N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is ISIFAMIYTWZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10(15)13-9-11(16)14-12(2)7-5-4-6-8-12/h3H,1,4-9H2,2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 58186121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).