pentadecan-6-yl N-propan-2-ylcarbamate

C19H39NO2 — CID 87949902

IUPACpentadecan-6-yl N-propan-2-ylcarbamate
SMILESCCCCCCCCCC(CCCCC)OC(=O)NC(C)C
InChIInChI=1S/C19H39NO2/c1-5-7-9-10-11-12-14-16-18(15-13-8-6-2)22-19(21)20-17(3)4/h17-18H,5-16H2,1-4H3,(H,20,21)
InChIKeyOAFQOKVIBJXWPI-UHFFFAOYSA-N
MW313.53 g/mol
LogP6.21
Rot. Bonds14

About pentadecan-6-yl N-propan-2-ylcarbamate

pentadecan-6-yl N-propan-2-ylcarbamate (PubChem CID 87949902) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is pentadecan-6-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namepentadecan-6-yl N-propan-2-ylcarbamate
PubChem CID87949902
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Namepentadecan-6-yl N-propan-2-ylcarbamate
SMILESCCCCCCCCCC(CCCCC)OC(=O)NC(C)C
InChIInChI=1S/C19H39NO2/c1-5-7-9-10-11-12-14-16-18(15-13-8-6-2)22-19(21)20-17(3)4/h17-18H,5-16H2,1-4H3,(H,20,21)
InChIKeyOAFQOKVIBJXWPI-UHFFFAOYSA-N
XLogP6.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.21
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

nonadecan-10-yl N-nonadecan-10-ylperoxycarbamate
CID 121360180
hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
icosan-10-yl hydrogen carbonate
CID 151448549
tricosan-7-yl hydrogen carbonate
CID 87300503
pentadecan-8-yl (2R)-2-aminopropanoate
CID 174065713
icosan-9-yl 2-aminopropanoate
CID 18625140
octadecan-9-yl 4-methyl-3-oxopentanoate
CID 141473284
octadecan-7-yl propanoate
CID 87732278
tetradecan-6-yl propanoate
CID 15483723
icosan-10-yl decanoate
CID 152733830

Frequently Asked Questions

What is the IUPAC name of pentadecan-6-yl N-propan-2-ylcarbamate?
The IUPAC name of pentadecan-6-yl N-propan-2-ylcarbamate (CID 87949902) is pentadecan-6-yl N-propan-2-ylcarbamate.
What is the SMILES notation for pentadecan-6-yl N-propan-2-ylcarbamate?
The canonical SMILES for pentadecan-6-yl N-propan-2-ylcarbamate is CCCCCCCCCC(CCCCC)OC(=O)NC(C)C.
What is the InChIKey of pentadecan-6-yl N-propan-2-ylcarbamate?
The InChIKey is OAFQOKVIBJXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-5-7-9-10-11-12-14-16-18(15-13-8-6-2)22-19(21)20-17(3)4/h17-18H,5-16H2,1-4H3,(H,20,21).
What are the key properties of pentadecan-6-yl N-propan-2-ylcarbamate?
pentadecan-6-yl N-propan-2-ylcarbamate has a molecular weight of 313.53 g/mol, XLogP of 6.21, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-6-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 87949902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).