2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide

C19H29NO — CID 174829434

IUPAC2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1cccc(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C19H29NO/c1-14(2)17(21)20-12-15-9-8-10-16(11-15)19(6,7)13-18(3,4)5/h8-11H,1,12-13H2,2-7H3,(H,20,21)
InChIKeyKBBJJOVDBBYEMB-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.59
Rot. Bonds5

About 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide

2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide (PubChem CID 174829434) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide
PubChem CID174829434
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1cccc(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C19H29NO/c1-14(2)17(21)20-12-15-9-8-10-16(11-15)19(6,7)13-18(3,4)5/h8-11H,1,12-13H2,2-7H3,(H,20,21)
InChIKeyKBBJJOVDBBYEMB-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide 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-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
2-[3-(2,4,4-trimethylpentan-2-yl)anilino]acetic acid
CID 151329473
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111948004
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide (CID 174829434) is 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide is C=C(C)C(=O)NCc1cccc(C(C)(C)CC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide?
The InChIKey is KBBJJOVDBBYEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)17(21)20-12-15-9-8-10-16(11-15)19(6,7)13-18(3,4)5/h8-11H,1,12-13H2,2-7H3,(H,20,21).
What are the key properties of 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide?
2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide has a molecular weight of 287.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 174829434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).