3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide

C16H26N2O — CID 65042808

IUPAC3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
SMILESCCC(CC)(CC)NC(=O)CCc1ccccc1N
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,6-3)18-15(19)12-11-13-9-7-8-10-14(13)17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyJVNVBZSIFRHMLU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds7

About 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide

3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide (PubChem CID 65042808) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
PubChem CID65042808
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
SMILESCCC(CC)(CC)NC(=O)CCc1ccccc1N
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,6-3)18-15(19)12-11-13-9-7-8-10-14(13)17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyJVNVBZSIFRHMLU-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride
CID 120609255
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119571159
3-(2-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]propanamide;hydrochloride
CID 120610417
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide (CID 65042808) is 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide is CCC(CC)(CC)NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide?
The InChIKey is JVNVBZSIFRHMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(5-2,6-3)18-15(19)12-11-13-9-7-8-10-14(13)17/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide?
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide is sourced from PubChem (CID 65042808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).