N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide

C19H30N2O2 — CID 17296409

IUPACN-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-6-9-14(10-7-2)17(22)20-15-11-8-12-16(13-15)21-18(23)19(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyWCJNFKCOYFRNOB-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.83
Rot. Bonds7

About N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide

N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide (PubChem CID 17296409) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
PubChem CID17296409
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-6-9-14(10-7-2)17(22)20-15-11-8-12-16(13-15)21-18(23)19(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyWCJNFKCOYFRNOB-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide 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-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 65225216
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt
CID 155747938
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
CID 17204568
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54836795
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
CID 54835424

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide (CID 17296409) is N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide?
The InChIKey is WCJNFKCOYFRNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-9-14(10-7-2)17(22)20-15-11-8-12-16(13-15)21-18(23)19(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide?
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide has a molecular weight of 318.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide is sourced from PubChem (CID 17296409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).