3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide

C21H29N3O — CID 39131020

IUPAC3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
SMILESCCN(CC)c1ccc(CCC(=O)N(CC)c2ccccc2)cc1N
InChIInChI=1S/C21H29N3O/c1-4-23(5-2)20-14-12-17(16-19(20)22)13-15-21(25)24(6-3)18-10-8-7-9-11-18/h7-12,14,16H,4-6,13,15,22H2,1-3H3
InChIKeySSUGVJVWIKLNCH-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.10
Rot. Bonds8

About 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide

3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide (PubChem CID 39131020) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
PubChem CID39131020
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
SMILESCCN(CC)c1ccc(CCC(=O)N(CC)c2ccccc2)cc1N
InChIInChI=1S/C21H29N3O/c1-4-23(5-2)20-14-12-17(16-19(20)22)13-15-21(25)24(6-3)18-10-8-7-9-11-18/h7-12,14,16H,4-6,13,15,22H2,1-3H3
InChIKeySSUGVJVWIKLNCH-UHFFFAOYSA-N
XLogP4.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.10
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,N-dimethylpropanamide
CID 39131014
3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide
CID 82153394
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
4-[3-(N-ethylanilino)-3-oxopropyl]benzoic acid
CID 82071678
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
N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
CID 120609604

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide (CID 39131020) is 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide is CCN(CC)c1ccc(CCC(=O)N(CC)c2ccccc2)cc1N.
What is the InChIKey of 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide?
The InChIKey is SSUGVJVWIKLNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-23(5-2)20-14-12-17(16-19(20)22)13-15-21(25)24(6-3)18-10-8-7-9-11-18/h7-12,14,16H,4-6,13,15,22H2,1-3H3.
What are the key properties of 3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide?
3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide has a molecular weight of 339.48 g/mol, XLogP of 4.10, 8 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-ethyl-N-phenylpropanamide is sourced from PubChem (CID 39131020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).