N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide

C16H27N3O — CID 43273334

IUPACN-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1ccccc1N)CC(C)C
InChIInChI=1S/C16H27N3O/c1-4-19(12-13(2)3)11-7-10-16(20)18-15-9-6-5-8-14(15)17/h5-6,8-9,13H,4,7,10-12,17H2,1-3H3,(H,18,20)
InChIKeyUGENUXTYTVFIRN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.97
Rot. Bonds8

About N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide

N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide (PubChem CID 43273334) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
PubChem CID43273334
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1ccccc1N)CC(C)C
InChIInChI=1S/C16H27N3O/c1-4-19(12-13(2)3)11-7-10-16(20)18-15-9-6-5-8-14(15)17/h5-6,8-9,13H,4,7,10-12,17H2,1-3H3,(H,18,20)
InChIKeyUGENUXTYTVFIRN-UHFFFAOYSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
CID 52675226
N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)
CID 163795898
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide
CID 43444541
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide?
The IUPAC name of N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide (CID 43273334) is N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide is CCN(CCCC(=O)Nc1ccccc1N)CC(C)C.
What is the InChIKey of N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide?
The InChIKey is UGENUXTYTVFIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(12-13(2)3)11-7-10-16(20)18-15-9-6-5-8-14(15)17/h5-6,8-9,13H,4,7,10-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide?
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide has a molecular weight of 277.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide is sourced from PubChem (CID 43273334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).