N-[3-[ethyl(methyl)amino]phenyl]butanamide

C13H20N2O — CID 91181927

IUPACN-[3-[ethyl(methyl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(N(C)CC)c1
InChIInChI=1S/C13H20N2O/c1-4-7-13(16)14-11-8-6-9-12(10-11)15(3)5-2/h6,8-10H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyCHRLZYRENWNJMS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.88
Rot. Bonds5

About N-[3-[ethyl(methyl)amino]phenyl]butanamide

N-[3-[ethyl(methyl)amino]phenyl]butanamide (PubChem CID 91181927) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]butanamide
PubChem CID91181927
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(N(C)CC)c1
InChIInChI=1S/C13H20N2O/c1-4-7-13(16)14-11-8-6-9-12(10-11)15(3)5-2/h6,8-10H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyCHRLZYRENWNJMS-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
CID 54817881
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569659
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926234
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
CID 140508292
3-(butanoylamino)benzoate
CID 5092431

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]butanamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]butanamide (CID 91181927) is N-[3-[ethyl(methyl)amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]butanamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]butanamide is CCCC(=O)Nc1cccc(N(C)CC)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]butanamide?
The InChIKey is CHRLZYRENWNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-7-13(16)14-11-8-6-9-12(10-11)15(3)5-2/h6,8-10H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]butanamide?
N-[3-[ethyl(methyl)amino]phenyl]butanamide has a molecular weight of 220.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]butanamide is sourced from PubChem (CID 91181927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).