3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

C16H26N2O2 — CID 106347887

IUPAC3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14(9-10-19)18-15(20)8-7-12-5-4-6-13(17)11-12/h4-6,11,14,19H,7-10,17H2,1-3H3,(H,18,20)
InChIKeySNDQCQWTOGOLDW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.11
Rot. Bonds6

About 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (PubChem CID 106347887) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
PubChem CID106347887
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14(9-10-19)18-15(20)8-7-12-5-4-6-13(17)11-12/h4-6,11,14,19H,7-10,17H2,1-3H3,(H,18,20)
InChIKeySNDQCQWTOGOLDW-UHFFFAOYSA-N
XLogP2.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
CID 115341301
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
2-[3-(3-aminophenyl)propanoylamino]-3-methoxypropanoic acid
CID 115341613
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79556235
3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
CID 80695549
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (CID 106347887) is 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is CC(C)(C)C(CCO)NC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The InChIKey is SNDQCQWTOGOLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)14(9-10-19)18-15(20)8-7-12-5-4-6-13(17)11-12/h4-6,11,14,19H,7-10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is sourced from PubChem (CID 106347887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).