3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide

C14H22N2O2 — CID 115357817

IUPAC3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
SMILESCC(C)(CO)CNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-13(18)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,17H,5,8-10,15H2,1-2H3,(H,16,18)
InChIKeyOVMXDOLMBZQGEK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds6

About 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide

3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide (PubChem CID 115357817) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
PubChem CID115357817
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
SMILESCC(C)(CO)CNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-13(18)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,17H,5,8-10,15H2,1-2H3,(H,16,18)
InChIKeyOVMXDOLMBZQGEK-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772275
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619
3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
CID 63228293
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide (CID 115357817) is 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide is CC(C)(CO)CNC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
The InChIKey is OVMXDOLMBZQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-13(18)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,17H,5,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide is sourced from PubChem (CID 115357817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).