benzyl N-(6-oxoheptyl)carbamate

C15H21NO3 — CID 58434506

IUPACbenzyl N-(6-oxoheptyl)carbamate
SMILESCC(=O)CCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-13(17)8-4-3-7-11-16-15(18)19-12-14-9-5-2-6-10-14/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,16,18)
InChIKeyCTHCPTZAHKMCLP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.06
Rot. Bonds8

About benzyl N-(6-oxoheptyl)carbamate

benzyl N-(6-oxoheptyl)carbamate (PubChem CID 58434506) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl N-(6-oxoheptyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-oxoheptyl)carbamate
PubChem CID58434506
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl N-(6-oxoheptyl)carbamate
SMILESCC(=O)CCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-13(17)8-4-3-7-11-16-15(18)19-12-14-9-5-2-6-10-14/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,16,18)
InChIKeyCTHCPTZAHKMCLP-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.06
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

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654
3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[12-(methylideneamino)-12-oxododecyl]carbamate
CID 130468290
benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate
CID 59544023
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
benzyl N-(6-methylheptyl)carbamate
CID 59918495

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-oxoheptyl)carbamate?
The IUPAC name of benzyl N-(6-oxoheptyl)carbamate (CID 58434506) is benzyl N-(6-oxoheptyl)carbamate.
What is the SMILES notation for benzyl N-(6-oxoheptyl)carbamate?
The canonical SMILES for benzyl N-(6-oxoheptyl)carbamate is CC(=O)CCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-oxoheptyl)carbamate?
The InChIKey is CTHCPTZAHKMCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-13(17)8-4-3-7-11-16-15(18)19-12-14-9-5-2-6-10-14/h2,5-6,9-10H,3-4,7-8,11-12H2,1H3,(H,16,18).
What are the key properties of benzyl N-(6-oxoheptyl)carbamate?
benzyl N-(6-oxoheptyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-oxoheptyl)carbamate is sourced from PubChem (CID 58434506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).