N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide

C18H27NO2 — CID 102034056

IUPACN-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
SMILESCC(C)(C)C(=O)NC(=O)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-17(2,3)14(13-10-8-7-9-11-13)12-15(20)19-16(21)18(4,5)6/h7-11,14H,12H2,1-6H3,(H,19,20,21)
InChIKeyWMGMDYUWZMNKBG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.90
Rot. Bonds3

About N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide

N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide (PubChem CID 102034056) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
PubChem CID102034056
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
SMILESCC(C)(C)C(=O)NC(=O)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-17(2,3)14(13-10-8-7-9-11-13)12-15(20)19-16(21)18(4,5)6/h7-11,14H,12H2,1-6H3,(H,19,20,21)
InChIKeyWMGMDYUWZMNKBG-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide 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

4,4-dimethyl-3-phenylpentanamide
CID 82077159
4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 85222036
(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119607171
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
(Z)-6,6-dimethyl-1,5-diphenylhept-1-en-3-one
CID 54602474
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
CID 150728986
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide
CID 43911866

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide?
The IUPAC name of N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide (CID 102034056) is N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide.
What is the SMILES notation for N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide?
The canonical SMILES for N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide is CC(C)(C)C(=O)NC(=O)CC(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide?
The InChIKey is WMGMDYUWZMNKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2,3)14(13-10-8-7-9-11-13)12-15(20)19-16(21)18(4,5)6/h7-11,14H,12H2,1-6H3,(H,19,20,21).
What are the key properties of N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide?
N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide is sourced from PubChem (CID 102034056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).