2-ethylaniline;N-phenylbutanamide

C18H24N2O — CID 68720946

IUPAC2-ethylaniline;N-phenylbutanamide
SMILESCCCC(=O)Nc1ccccc1.CCc1ccccc1N
InChIInChI=1S/C10H13NO.C8H11N/c1-2-6-10(12)11-9-7-4-3-5-8-9;1-2-7-5-3-4-6-8(7)9/h3-5,7-8H,2,6H2,1H3,(H,11,12);3-6H,2,9H2,1H3
InChIKeyYGICWKLCQBSFQD-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.26
Rot. Bonds4

About 2-ethylaniline;N-phenylbutanamide

2-ethylaniline;N-phenylbutanamide (PubChem CID 68720946) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethylaniline;N-phenylbutanamide.

Molecular Properties

Compound Name2-ethylaniline;N-phenylbutanamide
PubChem CID68720946
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-ethylaniline;N-phenylbutanamide
SMILESCCCC(=O)Nc1ccccc1.CCc1ccccc1N
InChIInChI=1S/C10H13NO.C8H11N/c1-2-6-10(12)11-9-7-4-3-5-8-9;1-2-7-5-3-4-6-8(7)9/h3-5,7-8H,2,6H2,1H3,(H,11,12);3-6H,2,9H2,1H3
InChIKeyYGICWKLCQBSFQD-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.26
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

N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
CID 43459401
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
N-[4-(N-methylanilino)phenyl]butanamide
CID 112986076
formamide;N-phenylheptanamide
CID 143464966
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167

Frequently Asked Questions

What is the IUPAC name of 2-ethylaniline;N-phenylbutanamide?
The IUPAC name of 2-ethylaniline;N-phenylbutanamide (CID 68720946) is 2-ethylaniline;N-phenylbutanamide.
What is the SMILES notation for 2-ethylaniline;N-phenylbutanamide?
The canonical SMILES for 2-ethylaniline;N-phenylbutanamide is CCCC(=O)Nc1ccccc1.CCc1ccccc1N.
What is the InChIKey of 2-ethylaniline;N-phenylbutanamide?
The InChIKey is YGICWKLCQBSFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C8H11N/c1-2-6-10(12)11-9-7-4-3-5-8-9;1-2-7-5-3-4-6-8(7)9/h3-5,7-8H,2,6H2,1H3,(H,11,12);3-6H,2,9H2,1H3.
What are the key properties of 2-ethylaniline;N-phenylbutanamide?
2-ethylaniline;N-phenylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylaniline;N-phenylbutanamide is sourced from PubChem (CID 68720946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).