benzyl N-(6-methylheptyl)carbamate

C16H25NO2 — CID 59918495

IUPACbenzyl N-(6-methylheptyl)carbamate
SMILESCC(C)CCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-14(2)9-5-4-8-12-17-16(18)19-13-15-10-6-3-7-11-15/h3,6-7,10-11,14H,4-5,8-9,12-13H2,1-2H3,(H,17,18)
InChIKeyDKMBSYSHJCRAPD-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.13
Rot. Bonds8

About benzyl N-(6-methylheptyl)carbamate

benzyl N-(6-methylheptyl)carbamate (PubChem CID 59918495) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is benzyl N-(6-methylheptyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-methylheptyl)carbamate
PubChem CID59918495
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namebenzyl N-(6-methylheptyl)carbamate
SMILESCC(C)CCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-14(2)9-5-4-8-12-17-16(18)19-13-15-10-6-3-7-11-15/h3,6-7,10-11,14H,4-5,8-9,12-13H2,1-2H3,(H,17,18)
InChIKeyDKMBSYSHJCRAPD-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.13
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

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
2-methylpropyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 154988305
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl (2R)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate;hydrochloride
CID 70414486
6-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoic acid
CID 155369198
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-methylheptyl)carbamate?
The IUPAC name of benzyl N-(6-methylheptyl)carbamate (CID 59918495) is benzyl N-(6-methylheptyl)carbamate.
What is the SMILES notation for benzyl N-(6-methylheptyl)carbamate?
The canonical SMILES for benzyl N-(6-methylheptyl)carbamate is CC(C)CCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-methylheptyl)carbamate?
The InChIKey is DKMBSYSHJCRAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)9-5-4-8-12-17-16(18)19-13-15-10-6-3-7-11-15/h3,6-7,10-11,14H,4-5,8-9,12-13H2,1-2H3,(H,17,18).
What are the key properties of benzyl N-(6-methylheptyl)carbamate?
benzyl N-(6-methylheptyl)carbamate has a molecular weight of 263.38 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-methylheptyl)carbamate is sourced from PubChem (CID 59918495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).