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

C25H45N3O3 — CID 10906218

IUPACN-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide
SMILESCC(=O)N(C=O)CCCN(CCCN1CCCC/C=C\CCCCCCCC1)C(C)=O
InChIInChI=1S/C25H45N3O3/c1-24(30)27(21-16-22-28(23-29)25(2)31)20-15-19-26-17-13-11-9-7-5-3-4-6-8-10-12-14-18-26/h5,7,23H,3-4,6,8-22H2,1-2H3/b7-5-
InChIKeyZFZFCJKAVAZBMY-ALCCZGGFSA-N
MW435.65 g/mol
LogP4.39
Rot. Bonds9

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

N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide (PubChem CID 10906218) has the molecular formula C25H45N3O3 and a molecular weight of 435.65 g/mol. Its IUPAC name is N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide
PubChem CID10906218
Molecular FormulaC25H45N3O3
Molecular Weight435.65 g/mol
Exact Mass435.35
IUPAC NameN-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide
SMILESCC(=O)N(C=O)CCCN(CCCN1CCCC/C=C\CCCCCCCC1)C(C)=O
InChIInChI=1S/C25H45N3O3/c1-24(30)27(21-16-22-28(23-29)25(2)31)20-15-19-26-17-13-11-9-7-5-3-4-6-8-10-12-14-18-26/h5,7,23H,3-4,6,8-22H2,1-2H3/b7-5-
InChIKeyZFZFCJKAVAZBMY-ALCCZGGFSA-N
XLogP4.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.65
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide?
The IUPAC name of N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide (CID 10906218) is N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide?
The canonical SMILES for N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide is CC(=O)N(C=O)CCCN(CCCN1CCCC/C=C\CCCCCCCC1)C(C)=O.
What is the InChIKey of N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide?
The InChIKey is ZFZFCJKAVAZBMY-ALCCZGGFSA-N. The full InChI is InChI=1S/C25H45N3O3/c1-24(30)27(21-16-22-28(23-29)25(2)31)20-15-19-26-17-13-11-9-7-5-3-4-6-8-10-12-14-18-26/h5,7,23H,3-4,6,8-22H2,1-2H3/b7-5-.
What are the key properties of N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide?
N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide has a molecular weight of 435.65 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(formyl)amino]propyl]-N-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]acetamide is sourced from PubChem (CID 10906218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).