3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide

C11H21NO2 — CID 21366281

IUPAC3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide
SMILESC=CCOC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-14-10(8(2)3)11(13)12-9(4)5/h6,8-10H,1,7H2,2-5H3,(H,12,13)
InChIKeyJCEMADDMEBQRSD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.74
Rot. Bonds6

About 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide

3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide (PubChem CID 21366281) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide
PubChem CID21366281
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide
SMILESC=CCOC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-14-10(8(2)3)11(13)12-9(4)5/h6,8-10H,1,7H2,2-5H3,(H,12,13)
InChIKeyJCEMADDMEBQRSD-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide 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-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide
CID 20790196
N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
CID 20790200
3-cyclopropyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366278
3,3-dimethyl-N-propan-2-yl-2-prop-2-enoxybutanamide
CID 21366280
4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide
CID 21366282
2-ethoxy-3-methyl-N-propan-2-ylbutanamide
CID 21366324
3-methyl-N-propan-2-yl-2-propoxybutanamide
CID 21366391
2-methyl-N-[2-(2-prop-2-enoxyethoxy)ethyl]butanamide
CID 57895972
N-but-3-enyl-2-(3-methylbutoxy)propanamide
CID 88950956
N-ethyl-4,4-dimethyl-2-prop-2-enoxypentanamide
CID 89093016
N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide
CID 89093024
N-ethyl-3-methyl-2-prop-2-enoxybutanamide
CID 89093743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide?
The IUPAC name of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide (CID 21366281) is 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide is C=CCOC(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide?
The InChIKey is JCEMADDMEBQRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-14-10(8(2)3)11(13)12-9(4)5/h6,8-10H,1,7H2,2-5H3,(H,12,13).
What are the key properties of 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide?
3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide has a molecular weight of 199.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-prop-2-enoxybutanamide is sourced from PubChem (CID 21366281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).