2-(butylamino)-N-(4-ethylphenyl)acetamide

C14H22N2O — CID 108993075

IUPAC2-(butylamino)-N-(4-ethylphenyl)acetamide
SMILESCCCCNCC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C14H22N2O/c1-3-5-10-15-11-14(17)16-13-8-6-12(4-2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyNUUDRPKMZRSEKF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds7

About 2-(butylamino)-N-(4-ethylphenyl)acetamide

2-(butylamino)-N-(4-ethylphenyl)acetamide (PubChem CID 108993075) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(butylamino)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(4-ethylphenyl)acetamide
PubChem CID108993075
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(butylamino)-N-(4-ethylphenyl)acetamide
SMILESCCCCNCC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C14H22N2O/c1-3-5-10-15-11-14(17)16-13-8-6-12(4-2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyNUUDRPKMZRSEKF-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
CID 108994496
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
ethyl 4-[[2-(pentylamino)acetyl]amino]benzoate
CID 109006003
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(butylamino)-N-(4-ethylphenyl)acetamide (CID 108993075) is 2-(butylamino)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(butylamino)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(butylamino)-N-(4-ethylphenyl)acetamide is CCCCNCC(=O)Nc1ccc(CC)cc1.
What is the InChIKey of 2-(butylamino)-N-(4-ethylphenyl)acetamide?
The InChIKey is NUUDRPKMZRSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-10-15-11-14(17)16-13-8-6-12(4-2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(butylamino)-N-(4-ethylphenyl)acetamide?
2-(butylamino)-N-(4-ethylphenyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 108993075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).