2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide

C17H28N2O — CID 106590949

IUPAC2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CN(CC)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C17H28N2O/c1-5-14(6-2)12-19(7-3)17(20)13(4)15-9-8-10-16(18)11-15/h8-11,13-14H,5-7,12,18H2,1-4H3
InChIKeyUGVUDKCOFUIDGA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.66
Rot. Bonds7

About 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide

2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide (PubChem CID 106590949) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
PubChem CID106590949
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CN(CC)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C17H28N2O/c1-5-14(6-2)12-19(7-3)17(20)13(4)15-9-8-10-16(18)11-15/h8-11,13-14H,5-7,12,18H2,1-4H3
InChIKeyUGVUDKCOFUIDGA-UHFFFAOYSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.66
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

2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
N-ethyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 109468131
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61438276
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
2-(3-aminophenyl)propanoate
CID 71650577
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)propanamide
CID 78972081

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide (CID 106590949) is 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide is CCC(CC)CN(CC)C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide?
The InChIKey is UGVUDKCOFUIDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-14(6-2)12-19(7-3)17(20)13(4)15-9-8-10-16(18)11-15/h8-11,13-14H,5-7,12,18H2,1-4H3.
What are the key properties of 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide?
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide is sourced from PubChem (CID 106590949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).