N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide

C14H22N2O — CID 114250285

IUPACN-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
SMILESCCc1ccc(NC(=O)CCCNC)cc1C
InChIInChI=1S/C14H22N2O/c1-4-12-7-8-13(10-11(12)2)16-14(17)6-5-9-15-3/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyRSYWTGJPIULVSA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.50
Rot. Bonds6

About N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide

N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide (PubChem CID 114250285) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
PubChem CID114250285
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
SMILESCCc1ccc(NC(=O)CCCNC)cc1C
InChIInChI=1S/C14H22N2O/c1-4-12-7-8-13(10-11(12)2)16-14(17)6-5-9-15-3/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyRSYWTGJPIULVSA-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide (CID 114250285) is N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide is CCc1ccc(NC(=O)CCCNC)cc1C.
What is the InChIKey of N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide?
The InChIKey is RSYWTGJPIULVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-7-8-13(10-11(12)2)16-14(17)6-5-9-15-3/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide?
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 114250285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).