3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride

C18H25Cl2N3O — CID 119953482

IUPAC3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCCNc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O.2ClH/c19-17(15-8-3-1-4-9-15)14-18(22)21-13-7-12-20-16-10-5-2-6-11-16;;/h1-6,8-11,17,20H,7,12-14,19H2,(H,21,22);2*1H
InChIKeyCVHAJRSLYVICDN-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.54
Rot. Bonds8

About 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride

3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride (PubChem CID 119953482) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
PubChem CID119953482
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCCNc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O.2ClH/c19-17(15-8-3-1-4-9-15)14-18(22)21-13-7-12-20-16-10-5-2-6-11-16;;/h1-6,8-11,17,20H,7,12-14,19H2,(H,21,22);2*1H
InChIKeyCVHAJRSLYVICDN-UHFFFAOYSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
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4-amino-N-(3-anilinopropyl)pentanamide
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3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride (CID 119953482) is 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride is Cl.Cl.NC(CC(=O)NCCCNc1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride?
The InChIKey is CVHAJRSLYVICDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c19-17(15-8-3-1-4-9-15)14-18(22)21-13-7-12-20-16-10-5-2-6-11-16;;/h1-6,8-11,17,20H,7,12-14,19H2,(H,21,22);2*1H.
What are the key properties of 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride?
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).