N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide

C14H24N2O3 — CID 167800664

IUPACN-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N(CC(C)(C)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-5-12(17)15(6-2)9-13(18)16(11-7-8-11)10-14(3,4)19/h5,11,19H,1,6-10H2,2-4H3
InChIKeyDRLJVYOTZAYTAM-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.78
Rot. Bonds7

About N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide

N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide (PubChem CID 167800664) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide
PubChem CID167800664
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N(CC(C)(C)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-5-12(17)15(6-2)9-13(18)16(11-7-8-11)10-14(3,4)19/h5,11,19H,1,6-10H2,2-4H3
InChIKeyDRLJVYOTZAYTAM-UHFFFAOYSA-N
XLogP0.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
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-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide (CID 167800664) is N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide is C=CC(=O)N(CC)CC(=O)N(CC(C)(C)O)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The InChIKey is DRLJVYOTZAYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-12(17)15(6-2)9-13(18)16(11-7-8-11)10-14(3,4)19/h5,11,19H,1,6-10H2,2-4H3.
What are the key properties of N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide?
N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide has a molecular weight of 268.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 167800664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).