N-(2-ethyl-2-methylbutyl)prop-2-enamide

C10H19NO — CID 146614205

IUPACN-(2-ethyl-2-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(CC)CC
InChIInChI=1S/C10H19NO/c1-5-9(12)11-8-10(4,6-2)7-3/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyCDQQYJFTUZMOGU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds5

About N-(2-ethyl-2-methylbutyl)prop-2-enamide

N-(2-ethyl-2-methylbutyl)prop-2-enamide (PubChem CID 146614205) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-ethyl-2-methylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylbutyl)prop-2-enamide
PubChem CID146614205
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2-ethyl-2-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(CC)CC
InChIInChI=1S/C10H19NO/c1-5-9(12)11-8-10(4,6-2)7-3/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyCDQQYJFTUZMOGU-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butyl-2-methyloctyl)prop-2-enamide
CID 130271966
2-ethyl-2-[(prop-2-enoylamino)methyl]butanoic acid
CID 115429764
N-[2-methyl-2-(methylamino)propyl]prop-2-enamide
CID 155577367
1-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]butane-2-sulfonic acid
CID 87757557
bis[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfate
CID 174730556
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
CID 167098282
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
2-hydroxy-2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174974804
(3E,5E)-3-N-(2-ethyl-2-methylbutyl)-6-N-(3-methylpentan-3-yl)octa-1,3,5,7-tetraene-3,6-diamine
CID 166864374
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
CID 174745288

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylbutyl)prop-2-enamide?
The IUPAC name of N-(2-ethyl-2-methylbutyl)prop-2-enamide (CID 146614205) is N-(2-ethyl-2-methylbutyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethyl-2-methylbutyl)prop-2-enamide?
The canonical SMILES for N-(2-ethyl-2-methylbutyl)prop-2-enamide is C=CC(=O)NCC(C)(CC)CC.
What is the InChIKey of N-(2-ethyl-2-methylbutyl)prop-2-enamide?
The InChIKey is CDQQYJFTUZMOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(12)11-8-10(4,6-2)7-3/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-(2-ethyl-2-methylbutyl)prop-2-enamide?
N-(2-ethyl-2-methylbutyl)prop-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylbutyl)prop-2-enamide is sourced from PubChem (CID 146614205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).