N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride

C19H24ClN3O2 — CID 120610142

IUPACN-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-14-5-4-7-16(13-14)22(12-11-18(21)23)19(24)10-9-15-6-2-3-8-17(15)20;/h2-8,13H,9-12,20H2,1H3,(H2,21,23);1H
InChIKeyQKZWRKZPOSQAJY-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.84
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride

N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 120610142) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride
PubChem CID120610142
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-14-5-4-7-16(13-14)22(12-11-18(21)23)19(24)10-9-15-6-2-3-8-17(15)20;/h2-8,13H,9-12,20H2,1H3,(H2,21,23);1H
InChIKeyQKZWRKZPOSQAJY-UHFFFAOYSA-N
XLogP2.84
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.84
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

4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
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CID 120609604
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
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3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
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N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119762815
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
CID 28768817
3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide
CID 86971783
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxamide
CID 154862063

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride (CID 120610142) is N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride is Cc1cccc(N(CCC(N)=O)C(=O)CCc2ccccc2N)c1.Cl.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is QKZWRKZPOSQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-14-5-4-7-16(13-14)22(12-11-18(21)23)19(24)10-9-15-6-2-3-8-17(15)20;/h2-8,13H,9-12,20H2,1H3,(H2,21,23);1H.
What are the key properties of N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride?
N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120610142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).