N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide

C24H38N4O — CID 10000946

IUPACN-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
SMILESNCCCCNCCCCCNCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H38N4O/c25-14-4-7-17-26-15-5-1-6-16-27-18-9-19-28-24(29)20-22-12-8-11-21-10-2-3-13-23(21)22/h2-3,8,10-13,26-27H,1,4-7,9,14-20,25H2,(H,28,29)
InChIKeyGKRSNHKZWUJUMC-UHFFFAOYSA-N
MW398.60 g/mol
LogP2.98
Rot. Bonds16

About N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide

N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide (PubChem CID 10000946) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
PubChem CID10000946
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC NameN-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
SMILESNCCCCNCCCCCNCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H38N4O/c25-14-4-7-17-26-15-5-1-6-16-27-18-9-19-28-24(29)20-22-12-8-11-21-10-2-3-13-23(21)22/h2-3,8,10-13,26-27H,1,4-7,9,14-20,25H2,(H,28,29)
InChIKeyGKRSNHKZWUJUMC-UHFFFAOYSA-N
XLogP2.98
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 52.98
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-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
2-[2-(4-aminobutylamino)-2-oxoethyl]benzoic acid
CID 113431497

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide (CID 10000946) is N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide is NCCCCNCCCCCNCCCNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide?
The InChIKey is GKRSNHKZWUJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c25-14-4-7-17-26-15-5-1-6-16-27-18-9-19-28-24(29)20-22-12-8-11-21-10-2-3-13-23(21)22/h2-3,8,10-13,26-27H,1,4-7,9,14-20,25H2,(H,28,29).
What are the key properties of N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide?
N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide has a molecular weight of 398.60 g/mol, XLogP of 2.98, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 10000946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).