2-[4-(tetradecylamino)butylamino]butanamide

C22H47N3O — CID 175024981

IUPAC2-[4-(tetradecylamino)butylamino]butanamide
SMILESCCCCCCCCCCCCCCNCCCCNC(CC)C(N)=O
InChIInChI=1S/C22H47N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-17-20-25-21(4-2)22(23)26/h21,24-25H,3-20H2,1-2H3,(H2,23,26)
InChIKeyDXKTZYDBULNDSV-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.91
Rot. Bonds21

About 2-[4-(tetradecylamino)butylamino]butanamide

2-[4-(tetradecylamino)butylamino]butanamide (PubChem CID 175024981) has the molecular formula C22H47N3O and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-[4-(tetradecylamino)butylamino]butanamide.

Molecular Properties

Compound Name2-[4-(tetradecylamino)butylamino]butanamide
PubChem CID175024981
Molecular FormulaC22H47N3O
Molecular Weight369.64 g/mol
Exact Mass369.37
IUPAC Name2-[4-(tetradecylamino)butylamino]butanamide
SMILESCCCCCCCCCCCCCCNCCCCNC(CC)C(N)=O
InChIInChI=1S/C22H47N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-17-20-25-21(4-2)22(23)26/h21,24-25H,3-20H2,1-2H3,(H2,23,26)
InChIKeyDXKTZYDBULNDSV-UHFFFAOYSA-N
XLogP4.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
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'}

Analyze 2-[4-(tetradecylamino)butylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butylamino)butanamide
CID 62901736
2-(tridecylamino)octanamide
CID 154123950
2-(2-aminoethylamino)butanamide
CID 62900229
2-(propylamino)octanamide
CID 60795649
2-(propylamino)nonanamide
CID 60796532
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
6-(decylamino)hexanamide
CID 13292350
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
12-(hexylamino)dodecanamide
CID 174861179
3-methyl-2-(pentylamino)butanamide
CID 103914102
2-methyl-3-(pentylamino)propanamide
CID 43312009
carbonic acid;N-hexylhexan-1-amine
CID 174995198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetradecylamino)butylamino]butanamide?
The IUPAC name of 2-[4-(tetradecylamino)butylamino]butanamide (CID 175024981) is 2-[4-(tetradecylamino)butylamino]butanamide.
What is the SMILES notation for 2-[4-(tetradecylamino)butylamino]butanamide?
The canonical SMILES for 2-[4-(tetradecylamino)butylamino]butanamide is CCCCCCCCCCCCCCNCCCCNC(CC)C(N)=O.
What is the InChIKey of 2-[4-(tetradecylamino)butylamino]butanamide?
The InChIKey is DXKTZYDBULNDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-17-20-25-21(4-2)22(23)26/h21,24-25H,3-20H2,1-2H3,(H2,23,26).
What are the key properties of 2-[4-(tetradecylamino)butylamino]butanamide?
2-[4-(tetradecylamino)butylamino]butanamide has a molecular weight of 369.64 g/mol, XLogP of 4.91, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetradecylamino)butylamino]butanamide is sourced from PubChem (CID 175024981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).