N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide

C24H45N3O2 — CID 73192557

IUPACN-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide
SMILESCC(=O)NCCCN(CCCN1CCCCC=CCCCCCCCC1)C(C)=O
InChIInChI=1S/C24H45N3O2/c1-23(28)25-17-15-21-27(24(2)29)22-16-20-26-18-13-11-9-7-5-3-4-6-8-10-12-14-19-26/h5,7H,3-4,6,8-22H2,1-2H3,(H,25,28)
InChIKeyNRDQQWPDWIXTER-UHFFFAOYSA-N
MW407.64 g/mol
LogP4.52
Rot. Bonds8

About N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide

N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide (PubChem CID 73192557) has the molecular formula C24H45N3O2 and a molecular weight of 407.64 g/mol. Its IUPAC name is N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide
PubChem CID73192557
Molecular FormulaC24H45N3O2
Molecular Weight407.64 g/mol
Exact Mass407.35
IUPAC NameN-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide
SMILESCC(=O)NCCCN(CCCN1CCCCC=CCCCCCCCC1)C(C)=O
InChIInChI=1S/C24H45N3O2/c1-23(28)25-17-15-21-27(24(2)29)22-16-20-26-18-13-11-9-7-5-3-4-6-8-10-12-14-19-26/h5,7H,3-4,6,8-22H2,1-2H3,(H,25,28)
InChIKeyNRDQQWPDWIXTER-UHFFFAOYSA-N
XLogP4.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.64
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-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

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide?
The IUPAC name of N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide (CID 73192557) is N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide is CC(=O)NCCCN(CCCN1CCCCC=CCCCCCCCC1)C(C)=O.
What is the InChIKey of N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide?
The InChIKey is NRDQQWPDWIXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O2/c1-23(28)25-17-15-21-27(24(2)29)22-16-20-26-18-13-11-9-7-5-3-4-6-8-10-12-14-19-26/h5,7H,3-4,6,8-22H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide?
N-[3-[acetyl-[3-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide has a molecular weight of 407.64 g/mol, XLogP of 4.52, 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-(1-azacyclopentadec-10-en-1-yl)propyl]amino]propyl]acetamide is sourced from PubChem (CID 73192557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).