N-[(Z)-hentriacont-22-en-14-yl]formamide

C32H63NO — CID 87791171

IUPACN-[(Z)-hentriacont-22-en-14-yl]formamide
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCC)NC=O
InChIInChI=1S/C32H63NO/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-32(33-31-34)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,31-32H,3-15,18-30H2,1-2H3,(H,33,34)/b17-16-
InChIKeyXYUOQOZVOFCOTJ-MSUUIHNZSA-N
MW477.86 g/mol
LogP10.84
Rot. Bonds29

About N-[(Z)-hentriacont-22-en-14-yl]formamide

N-[(Z)-hentriacont-22-en-14-yl]formamide (PubChem CID 87791171) has the molecular formula C32H63NO and a molecular weight of 477.86 g/mol. Its IUPAC name is N-[(Z)-hentriacont-22-en-14-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-hentriacont-22-en-14-yl]formamide
PubChem CID87791171
Molecular FormulaC32H63NO
Molecular Weight477.86 g/mol
Exact Mass477.49
IUPAC NameN-[(Z)-hentriacont-22-en-14-yl]formamide
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCC)NC=O
InChIInChI=1S/C32H63NO/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-32(33-31-34)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,31-32H,3-15,18-30H2,1-2H3,(H,33,34)/b17-16-
InChIKeyXYUOQOZVOFCOTJ-MSUUIHNZSA-N
XLogP10.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.86
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hentriacont-22-en-14-yl]formamide?
The IUPAC name of N-[(Z)-hentriacont-22-en-14-yl]formamide (CID 87791171) is N-[(Z)-hentriacont-22-en-14-yl]formamide.
What is the SMILES notation for N-[(Z)-hentriacont-22-en-14-yl]formamide?
The canonical SMILES for N-[(Z)-hentriacont-22-en-14-yl]formamide is CCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCC)NC=O.
What is the InChIKey of N-[(Z)-hentriacont-22-en-14-yl]formamide?
The InChIKey is XYUOQOZVOFCOTJ-MSUUIHNZSA-N. The full InChI is InChI=1S/C32H63NO/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-32(33-31-34)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,31-32H,3-15,18-30H2,1-2H3,(H,33,34)/b17-16-.
What are the key properties of N-[(Z)-hentriacont-22-en-14-yl]formamide?
N-[(Z)-hentriacont-22-en-14-yl]formamide has a molecular weight of 477.86 g/mol, XLogP of 10.84, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hentriacont-22-en-14-yl]formamide is sourced from PubChem (CID 87791171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).