N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide

C18H32N4O — CID 71541381

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
SMILESNCCCNCCCCNCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H32N4O/c19-10-6-13-20-11-4-5-12-21-14-7-15-22-18(23)16-17-8-2-1-3-9-17/h1-3,8-9,20-21H,4-7,10-16,19H2,(H,22,23)
InChIKeyVIZFYBXTUUVQPR-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.04
Rot. Bonds14

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide (PubChem CID 71541381) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
PubChem CID71541381
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
SMILESNCCCNCCCCNCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H32N4O/c19-10-6-13-20-11-4-5-12-21-14-7-15-22-18(23)16-17-8-2-1-3-9-17/h1-3,8-9,20-21H,4-7,10-16,19H2,(H,22,23)
InChIKeyVIZFYBXTUUVQPR-UHFFFAOYSA-N
XLogP1.04
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.04
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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Related Compounds

N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
CID 10000946
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-[2-(4-aminobutylamino)-2-oxoethyl]benzoic acid
CID 113431497
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
N-(3-aminopropyl)-3-oxo-3-phenylpropanamide
CID 110463344
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
CID 102304258
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide (CID 71541381) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide is NCCCNCCCCNCCCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide?
The InChIKey is VIZFYBXTUUVQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c19-10-6-13-20-11-4-5-12-21-14-7-15-22-18(23)16-17-8-2-1-3-9-17/h1-3,8-9,20-21H,4-7,10-16,19H2,(H,22,23).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide has a molecular weight of 320.48 g/mol, XLogP of 1.04, 14 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]-2-phenylacetamide is sourced from PubChem (CID 71541381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).