2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride

C18H21ClN4O2 — CID 90028577

IUPAC2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(Cc2ccccc2)C(=O)N=C(N)N)cc1.Cl
InChIInChI=1S/C18H20N4O2.ClH/c1-12(23)21-15-9-7-14(8-10-15)16(17(24)22-18(19)20)11-13-5-3-2-4-6-13;/h2-10,16H,11H2,1H3,(H,21,23)(H4,19,20,22,24);1H
InChIKeyLCRGNKXCLMSTIM-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride

2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride (PubChem CID 90028577) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride
PubChem CID90028577
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(Cc2ccccc2)C(=O)N=C(N)N)cc1.Cl
InChIInChI=1S/C18H20N4O2.ClH/c1-12(23)21-15-9-7-14(8-10-15)16(17(24)22-18(19)20)11-13-5-3-2-4-6-13;/h2-10,16H,11H2,1H3,(H,21,23)(H4,19,20,22,24);1H
InChIKeyLCRGNKXCLMSTIM-UHFFFAOYSA-N
XLogP2.19
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetamidophenyl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 90027750
(2S)-3-(4-cyanophenyl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 73051901
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
2-(2-chlorophenyl)-N-(diaminomethylidene)-3-phenylpropanamide
CID 123678595
(2S)-N-(diaminomethylidene)-2-(4-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 73053013
2-(4-aminophenyl)-3-phenylpropanamide
CID 82020975
(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 73052533
N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride
CID 90028549
benzyl N-[1-bis(4-acetamidophenoxy)phosphoryl-2-[4-(diaminomethylideneamino)phenyl]ethyl]carbamate;hydrochloride
CID 165437259
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
CID 4534125

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride (CID 90028577) is 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride is CC(=O)Nc1ccc(C(Cc2ccccc2)C(=O)N=C(N)N)cc1.Cl.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride?
The InChIKey is LCRGNKXCLMSTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.ClH/c1-12(23)21-15-9-7-14(8-10-15)16(17(24)22-18(19)20)11-13-5-3-2-4-6-13;/h2-10,16H,11H2,1H3,(H,21,23)(H4,19,20,22,24);1H.
What are the key properties of 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride?
2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 90028577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).