N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide

C19H34N4O — CID 46886661

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide
SMILESNCCCNCCCCNCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
InChIKeyGLVZEIGFWZGDFV-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.43
Rot. Bonds15

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide (PubChem CID 46886661) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide
PubChem CID46886661
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide
SMILESNCCCNCCCCNCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
InChIKeyGLVZEIGFWZGDFV-UHFFFAOYSA-N
XLogP1.43
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide (CID 46886661) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide is NCCCNCCCCNCCCNC(=O)CCc1ccccc1.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide?
The InChIKey is GLVZEIGFWZGDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide has a molecular weight of 334.51 g/mol, XLogP of 1.43, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide is sourced from PubChem (CID 46886661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).