N-[(3S)-2-oxoazepan-3-yl]dodecanamide

C18H34N2O2 — CID 11370332

IUPACN-[(3S)-2-oxoazepan-3-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C18H34N2O2/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-16-13-11-12-15-19-18(16)22/h16H,2-15H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyIIAKAUPPRWWLMA-INIZCTEOSA-N
MW310.48 g/mol
LogP3.69
Rot. Bonds11

About N-[(3S)-2-oxoazepan-3-yl]dodecanamide

N-[(3S)-2-oxoazepan-3-yl]dodecanamide (PubChem CID 11370332) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]dodecanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]dodecanamide
PubChem CID11370332
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C18H34N2O2/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-16-13-11-12-15-19-18(16)22/h16H,2-15H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyIIAKAUPPRWWLMA-INIZCTEOSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]dodecanamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]dodecanamide (CID 11370332) is N-[(3S)-2-oxoazepan-3-yl]dodecanamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]dodecanamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]dodecanamide?
The InChIKey is IIAKAUPPRWWLMA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-16-13-11-12-15-19-18(16)22/h16H,2-15H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]dodecanamide?
N-[(3S)-2-oxoazepan-3-yl]dodecanamide has a molecular weight of 310.48 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]dodecanamide is sourced from PubChem (CID 11370332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).