benzyl N-(8-oxopentadecyl)carbamate

C23H37NO3 — CID 123440218

IUPACbenzyl N-(8-oxopentadecyl)carbamate
SMILESCCCCCCCC(=O)CCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C23H37NO3/c1-2-3-4-6-12-17-22(25)18-13-7-5-8-14-19-24-23(26)27-20-21-15-10-9-11-16-21/h9-11,15-16H,2-8,12-14,17-20H2,1H3,(H,24,26)
InChIKeyMABZJYJKBRVEAF-UHFFFAOYSA-N
MW375.55 g/mol
LogP6.18
Rot. Bonds16

About benzyl N-(8-oxopentadecyl)carbamate

benzyl N-(8-oxopentadecyl)carbamate (PubChem CID 123440218) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is benzyl N-(8-oxopentadecyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(8-oxopentadecyl)carbamate
PubChem CID123440218
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Namebenzyl N-(8-oxopentadecyl)carbamate
SMILESCCCCCCCC(=O)CCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C23H37NO3/c1-2-3-4-6-12-17-22(25)18-13-7-5-8-14-19-24-23(26)27-20-21-15-10-9-11-16-21/h9-11,15-16H,2-8,12-14,17-20H2,1H3,(H,24,26)
InChIKeyMABZJYJKBRVEAF-UHFFFAOYSA-N
XLogP6.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl N-[(4S)-4-(docosanoylamino)-5-(dodecylamino)-5-oxopentyl]carbamate
CID 135364014
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-bromooctyl)carbamate
CID 86200547
[(2S)-1-[12-(phenylmethoxycarbonylamino)dodecanoyloxy]butan-2-yl] hexadecanoate
CID 70839932
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654
dodecyl-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 19090857
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885

Frequently Asked Questions

What is the IUPAC name of benzyl N-(8-oxopentadecyl)carbamate?
The IUPAC name of benzyl N-(8-oxopentadecyl)carbamate (CID 123440218) is benzyl N-(8-oxopentadecyl)carbamate.
What is the SMILES notation for benzyl N-(8-oxopentadecyl)carbamate?
The canonical SMILES for benzyl N-(8-oxopentadecyl)carbamate is CCCCCCCC(=O)CCCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(8-oxopentadecyl)carbamate?
The InChIKey is MABZJYJKBRVEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-2-3-4-6-12-17-22(25)18-13-7-5-8-14-19-24-23(26)27-20-21-15-10-9-11-16-21/h9-11,15-16H,2-8,12-14,17-20H2,1H3,(H,24,26).
What are the key properties of benzyl N-(8-oxopentadecyl)carbamate?
benzyl N-(8-oxopentadecyl)carbamate has a molecular weight of 375.55 g/mol, XLogP of 6.18, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(8-oxopentadecyl)carbamate is sourced from PubChem (CID 123440218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).