2-(butylamino)-N-(3,4-dimethylphenyl)acetamide

C14H22N2O — CID 54815382

IUPAC2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
SMILESCCCCNCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-8-15-10-14(17)16-13-7-6-11(2)12(3)9-13/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyNURHNWARFQKVBT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds6

About 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide

2-(butylamino)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 54815382) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
PubChem CID54815382
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
SMILESCCCCNCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-8-15-10-14(17)16-13-7-6-11(2)12(3)9-13/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyNURHNWARFQKVBT-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
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-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466525
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide
CID 4963866
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
CID 54815494
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide (CID 54815382) is 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide is CCCCNCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is NURHNWARFQKVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-8-15-10-14(17)16-13-7-6-11(2)12(3)9-13/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide?
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 54815382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).