3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide

C17H29N3O — CID 39112432

IUPAC3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide
SMILESCCN(CC)c1ccc(CCC(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C17H29N3O/c1-6-20(7-2)15-10-8-13(12-14(15)18)9-11-16(21)19-17(3,4)5/h8,10,12H,6-7,9,11,18H2,1-5H3,(H,19,21)
InChIKeyRJFHUJBWWPTYMI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.96
Rot. Bonds6

About 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide

3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide (PubChem CID 39112432) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide
PubChem CID39112432
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide
SMILESCCN(CC)c1ccc(CCC(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C17H29N3O/c1-6-20(7-2)15-10-8-13(12-14(15)18)9-11-16(21)19-17(3,4)5/h8,10,12H,6-7,9,11,18H2,1-5H3,(H,19,21)
InChIKeyRJFHUJBWWPTYMI-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.96
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

3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide
CID 39112436
3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
CID 39131014
3-[3-amino-4-(diethylamino)phenyl]-1-(azepan-1-yl)propan-1-one
CID 39113473
3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
CID 39131020
N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18432255
2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
CID 63233665
N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 53131415
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105026
N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390011
3-amino-4-[ethyl-[(4-methylphenyl)methyl]amino]benzoic acid
CID 63119000
N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
CID 145021408
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide?
The IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide (CID 39112432) is 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide?
The canonical SMILES for 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide is CCN(CC)c1ccc(CCC(=O)NC(C)(C)C)cc1N.
What is the InChIKey of 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide?
The InChIKey is RJFHUJBWWPTYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-20(7-2)15-10-8-13(12-14(15)18)9-11-16(21)19-17(3,4)5/h8,10,12H,6-7,9,11,18H2,1-5H3,(H,19,21).
What are the key properties of 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide?
3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide is sourced from PubChem (CID 39112432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).