2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide

C17H27NO — CID 126512777

IUPAC2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide
SMILESCCC(c1ccc(NC(=O)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H27NO/c1-7-15(12(2)3)13-8-10-14(11-9-13)18-16(19)17(4,5)6/h8-12,15H,7H2,1-6H3,(H,18,19)
InChIKeyZKWANPRNRYIEKE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.82
Rot. Bonds4

About 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide

2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide (PubChem CID 126512777) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide
PubChem CID126512777
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide
SMILESCCC(c1ccc(NC(=O)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H27NO/c1-7-15(12(2)3)13-8-10-14(11-9-13)18-16(19)17(4,5)6/h8-12,15H,7H2,1-6H3,(H,18,19)
InChIKeyZKWANPRNRYIEKE-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide 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

2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide
CID 97135002
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
CID 82259470
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide (CID 126512777) is 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide is CCC(c1ccc(NC(=O)C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide?
The InChIKey is ZKWANPRNRYIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-15(12(2)3)13-8-10-14(11-9-13)18-16(19)17(4,5)6/h8-12,15H,7H2,1-6H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide?
2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide has a molecular weight of 261.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide is sourced from PubChem (CID 126512777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).