N-(2-aminophenyl)-N-propylbutanamide

C13H20N2O — CID 63230657

IUPACN-(2-aminophenyl)-N-propylbutanamide
SMILESCCCC(=O)N(CCC)c1ccccc1N
InChIInChI=1S/C13H20N2O/c1-3-7-13(16)15(10-4-2)12-9-6-5-8-11(12)14/h5-6,8-9H,3-4,7,10,14H2,1-2H3
InChIKeyJNHSJBUIOXHPKR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.81
Rot. Bonds5

About N-(2-aminophenyl)-N-propylbutanamide

N-(2-aminophenyl)-N-propylbutanamide (PubChem CID 63230657) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-propylbutanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-propylbutanamide
PubChem CID63230657
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-aminophenyl)-N-propylbutanamide
SMILESCCCC(=O)N(CCC)c1ccccc1N
InChIInChI=1S/C13H20N2O/c1-3-7-13(16)15(10-4-2)12-9-6-5-8-11(12)14/h5-6,8-9H,3-4,7,10,14H2,1-2H3
InChIKeyJNHSJBUIOXHPKR-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
CID 63230441
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
CID 43547827
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357
N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 107000282
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-propylbutanamide?
The IUPAC name of N-(2-aminophenyl)-N-propylbutanamide (CID 63230657) is N-(2-aminophenyl)-N-propylbutanamide.
What is the SMILES notation for N-(2-aminophenyl)-N-propylbutanamide?
The canonical SMILES for N-(2-aminophenyl)-N-propylbutanamide is CCCC(=O)N(CCC)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-propylbutanamide?
The InChIKey is JNHSJBUIOXHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-7-13(16)15(10-4-2)12-9-6-5-8-11(12)14/h5-6,8-9H,3-4,7,10,14H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-propylbutanamide?
N-(2-aminophenyl)-N-propylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-propylbutanamide is sourced from PubChem (CID 63230657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).