N-(4-aminobutyl)tetracosanamide

C28H58N2O — CID 171117181

IUPACN-(4-aminobutyl)tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCN
InChIInChI=1S/C28H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)30-27-24-23-26-29/h2-27,29H2,1H3,(H,30,31)
InChIKeyUIYDNTPEDDDXFQ-UHFFFAOYSA-N
MW438.79 g/mol
LogP8.44
Rot. Bonds26

About N-(4-aminobutyl)tetracosanamide

N-(4-aminobutyl)tetracosanamide (PubChem CID 171117181) has the molecular formula C28H58N2O and a molecular weight of 438.79 g/mol. Its IUPAC name is N-(4-aminobutyl)tetracosanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)tetracosanamide
PubChem CID171117181
Molecular FormulaC28H58N2O
Molecular Weight438.79 g/mol
Exact Mass438.45
IUPAC NameN-(4-aminobutyl)tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCN
InChIInChI=1S/C28H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)30-27-24-23-26-29/h2-27,29H2,1H3,(H,30,31)
InChIKeyUIYDNTPEDDDXFQ-UHFFFAOYSA-N
XLogP8.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.79
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
(Z)-N-(4-aminobutyl)pentadec-9-enamide
CID 171117158
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)tetracosanamide?
The IUPAC name of N-(4-aminobutyl)tetracosanamide (CID 171117181) is N-(4-aminobutyl)tetracosanamide.
What is the SMILES notation for N-(4-aminobutyl)tetracosanamide?
The canonical SMILES for N-(4-aminobutyl)tetracosanamide is CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)tetracosanamide?
The InChIKey is UIYDNTPEDDDXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)30-27-24-23-26-29/h2-27,29H2,1H3,(H,30,31).
What are the key properties of N-(4-aminobutyl)tetracosanamide?
N-(4-aminobutyl)tetracosanamide has a molecular weight of 438.79 g/mol, XLogP of 8.44, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)tetracosanamide is sourced from PubChem (CID 171117181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).