N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide

C14H22N2O — CID 82259731

IUPACN-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(N)Cc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-10(15)9-11-5-7-12(8-6-11)16-13(17)14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyMMHJQNILPPYUEL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds3

About N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide

N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 82259731) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
PubChem CID82259731
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(N)Cc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-10(15)9-11-5-7-12(8-6-11)16-13(17)14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyMMHJQNILPPYUEL-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide 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-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
CID 82259967
N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
CID 82259470
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
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
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
CID 159222275
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide (CID 82259731) is N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide is CC(N)Cc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is MMHJQNILPPYUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(15)9-11-5-7-12(8-6-11)16-13(17)14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide?
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82259731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).