N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide

C14H24N2O3 — CID 166406819

IUPACN-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H24N2O3/c1-4-13(18)16(3)9-12(17)15-10-14(19)7-5-11(2)6-8-14/h4,11,19H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyQDCXLJCRKXZVRV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.69
Rot. Bonds5

About N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166406819) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166406819
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H24N2O3/c1-4-13(18)16(3)9-12(17)15-10-14(19)7-5-11(2)6-8-14/h4,11,19H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyQDCXLJCRKXZVRV-UHFFFAOYSA-N
XLogP0.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide (CID 166406819) is N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is QDCXLJCRKXZVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-13(18)16(3)9-12(17)15-10-14(19)7-5-11(2)6-8-14/h4,11,19H,1,5-10H2,2-3H3,(H,15,17).
What are the key properties of N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 268.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166406819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).