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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Related Compounds

N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166407618
N-cyclohexyl-N-ethyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964516
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol
CID 79389933
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761925
3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60833671
N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166415899

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).