3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide

C15H25N3O — CID 39131014

IUPAC3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
SMILESCCN(CC)c1ccc(CCC(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O/c1-5-18(6-2)14-9-7-12(11-13(14)16)8-10-15(19)17(3)4/h7,9,11H,5-6,8,10,16H2,1-4H3
InChIKeyVJWDZJZPHDTOLF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.14
Rot. Bonds6

About 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide

3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide (PubChem CID 39131014) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
PubChem CID39131014
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
SMILESCCN(CC)c1ccc(CCC(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O/c1-5-18(6-2)14-9-7-12(11-13(14)16)8-10-15(19)17(3)4/h7,9,11H,5-6,8,10,16H2,1-4H3
InChIKeyVJWDZJZPHDTOLF-UHFFFAOYSA-N
XLogP2.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-ethyl-N-phenylpropanamide
CID 39131020
3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide
CID 39112432
3-[3-amino-4-(diethylamino)phenyl]-1-(azepan-1-yl)propan-1-one
CID 39113473
3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide
CID 39112436
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18432255
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 43588100
3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
CID 82153398
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070952
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate
CID 61316212

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide (CID 39131014) is 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide is CCN(CC)c1ccc(CCC(=O)N(C)C)cc1N.
What is the InChIKey of 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide?
The InChIKey is VJWDZJZPHDTOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(6-2)14-9-7-12(11-13(14)16)8-10-15(19)17(3)4/h7,9,11H,5-6,8,10,16H2,1-4H3.
What are the key properties of 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide?
3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 39131014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).