4-[4-(tetradecylamino)butylamino]butanamide

C22H47N3O — CID 175024979

IUPAC4-[4-(tetradecylamino)butylamino]butanamide
SMILESCCCCCCCCCCCCCCNCCCCNCCCC(N)=O
InChIInChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-19-14-15-20-25-21-16-17-22(23)26/h24-25H,2-21H2,1H3,(H2,23,26)
InChIKeySKXZJMKUXASNNQ-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.91
Rot. Bonds22

About 4-[4-(tetradecylamino)butylamino]butanamide

4-[4-(tetradecylamino)butylamino]butanamide (PubChem CID 175024979) has the molecular formula C22H47N3O and a molecular weight of 369.64 g/mol. Its IUPAC name is 4-[4-(tetradecylamino)butylamino]butanamide.

Molecular Properties

Compound Name4-[4-(tetradecylamino)butylamino]butanamide
PubChem CID175024979
Molecular FormulaC22H47N3O
Molecular Weight369.64 g/mol
Exact Mass369.37
IUPAC Name4-[4-(tetradecylamino)butylamino]butanamide
SMILESCCCCCCCCCCCCCCNCCCCNCCCC(N)=O
InChIInChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-19-14-15-20-25-21-16-17-22(23)26/h24-25H,2-21H2,1H3,(H2,23,26)
InChIKeySKXZJMKUXASNNQ-UHFFFAOYSA-N
XLogP4.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.91
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

6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983
4-(propylamino)butanamide
CID 21468794
carbonic acid;N-hexylhexan-1-amine
CID 174995198
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
nonacosanamide
CID 21105912
dodecanamide;N-methylmethanamine
CID 159337435
4-(octylamino)butanoyl chloride;hydrochloride
CID 87609657
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
6-(octylcarbamoylamino)hexanamide
CID 11833003

Frequently Asked Questions

What is the IUPAC name of 4-[4-(tetradecylamino)butylamino]butanamide?
The IUPAC name of 4-[4-(tetradecylamino)butylamino]butanamide (CID 175024979) is 4-[4-(tetradecylamino)butylamino]butanamide.
What is the SMILES notation for 4-[4-(tetradecylamino)butylamino]butanamide?
The canonical SMILES for 4-[4-(tetradecylamino)butylamino]butanamide is CCCCCCCCCCCCCCNCCCCNCCCC(N)=O.
What is the InChIKey of 4-[4-(tetradecylamino)butylamino]butanamide?
The InChIKey is SKXZJMKUXASNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-19-14-15-20-25-21-16-17-22(23)26/h24-25H,2-21H2,1H3,(H2,23,26).
What are the key properties of 4-[4-(tetradecylamino)butylamino]butanamide?
4-[4-(tetradecylamino)butylamino]butanamide has a molecular weight of 369.64 g/mol, XLogP of 4.91, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tetradecylamino)butylamino]butanamide is sourced from PubChem (CID 175024979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).