N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide

C23H45N3O2 — CID 11795015

IUPACN-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide
SMILESCC(=O)NCCCN(CCCN1CCCCCCCCCCCCC1)C(C)=O
InChIInChI=1S/C23H45N3O2/c1-22(27)24-16-14-20-26(23(2)28)21-15-19-25-17-12-10-8-6-4-3-5-7-9-11-13-18-25/h3-21H2,1-2H3,(H,24,27)
InChIKeyRCSMSBDBQVMFGH-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.36
Rot. Bonds8

About N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide

N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide (PubChem CID 11795015) has the molecular formula C23H45N3O2 and a molecular weight of 395.63 g/mol. Its IUPAC name is N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide
PubChem CID11795015
Molecular FormulaC23H45N3O2
Molecular Weight395.63 g/mol
Exact Mass395.35
IUPAC NameN-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide
SMILESCC(=O)NCCCN(CCCN1CCCCCCCCCCCCC1)C(C)=O
InChIInChI=1S/C23H45N3O2/c1-22(27)24-16-14-20-26(23(2)28)21-15-19-25-17-12-10-8-6-4-3-5-7-9-11-13-18-25/h3-21H2,1-2H3,(H,24,27)
InChIKeyRCSMSBDBQVMFGH-UHFFFAOYSA-N
XLogP4.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide 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

Hexamethylene Bisacetamide
CID 3616
Lauramidopropyl Dimethylamine
CID 51392
Stearamidopropyl Dimethylamine
CID 62109
Myristamidopropyl Dimethylamine
CID 170759
N-Dodecylacetamide
CID 19764
Palmitamidopropyl Dimethylamine
CID 38313
Behenic acid dimethylaminopropylamide
CID 108912
Acetamide, N-nonyl-
CID 39431
N-Decylacetamide
CID 98880
[3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium
CID 94599
Myristamidopropylamine oxide
CID 64680
Propanamide, N,N'-1,6-hexanediylbis-
CID 2847505

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide?
The IUPAC name of N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide (CID 11795015) is N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide is CC(=O)NCCCN(CCCN1CCCCCCCCCCCCC1)C(C)=O.
What is the InChIKey of N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide?
The InChIKey is RCSMSBDBQVMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O2/c1-22(27)24-16-14-20-26(23(2)28)21-15-19-25-17-12-10-8-6-4-3-5-7-9-11-13-18-25/h3-21H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide?
N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide has a molecular weight of 395.63 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide is sourced from PubChem (CID 11795015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).