CID 101170549

C21H41N2O2 — CID 101170549

IUPAC—
SMILESCCCCCCCCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C21H41N2O2/c1-6-7-8-9-10-11-12-13-14-15-19(24)22-18-16-20(2,3)23(25)21(4,5)17-18/h18H,6-17H2,1-5H3,(H,22,24)
InChIKeyNJBLSFLUPCEVAV-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.39
Rot. Bonds11

About CID 101170549

CID 101170549 (PubChem CID 101170549) has the molecular formula C21H41N2O2 and a molecular weight of 353.57 g/mol.

Molecular Properties

Compound NameCID 101170549
PubChem CID101170549
Molecular FormulaC21H41N2O2
Molecular Weight353.57 g/mol
Exact Mass353.32
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C21H41N2O2/c1-6-7-8-9-10-11-12-13-14-15-19(24)22-18-16-20(2,3)23(25)21(4,5)17-18/h18H,6-17H2,1-5H3,(H,22,24)
InChIKeyNJBLSFLUPCEVAV-UHFFFAOYSA-N
XLogP5.39
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-cycloheptylnonanamide
CID 5045141
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-oxohexyl]-trimethylazanium bromide
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CID 140694935

Frequently Asked Questions

What is the IUPAC name of CID 101170549?
The IUPAC name of CID 101170549 (CID 101170549) is not available.
What is the SMILES notation for CID 101170549?
The canonical SMILES for CID 101170549 is CCCCCCCCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 101170549?
The InChIKey is NJBLSFLUPCEVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N2O2/c1-6-7-8-9-10-11-12-13-14-15-19(24)22-18-16-20(2,3)23(25)21(4,5)17-18/h18H,6-17H2,1-5H3,(H,22,24).
What are the key properties of CID 101170549?
CID 101170549 has a molecular weight of 353.57 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101170549 is sourced from PubChem (CID 101170549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).