benzyl N-(4-methylheptan-2-yl)carbamate

C16H25NO2 — CID 123859243

IUPACbenzyl N-(4-methylheptan-2-yl)carbamate
SMILESCCCC(C)CC(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-8-13(2)11-14(3)17-16(18)19-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H,17,18)
InChIKeyJVVFJKPVNCPNKV-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.13
Rot. Bonds7

About benzyl N-(4-methylheptan-2-yl)carbamate

benzyl N-(4-methylheptan-2-yl)carbamate (PubChem CID 123859243) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is benzyl N-(4-methylheptan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-methylheptan-2-yl)carbamate
PubChem CID123859243
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namebenzyl N-(4-methylheptan-2-yl)carbamate
SMILESCCCC(C)CC(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-8-13(2)11-14(3)17-16(18)19-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H,17,18)
InChIKeyJVVFJKPVNCPNKV-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

benzyl N-(1-aminobutyl)carbamate
CID 3840640
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 45049798
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
2-deuterio-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 87244341
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
benzyl N-[(E)-heptadec-5-en-2-yl]carbamate
CID 102196542
benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate
CID 134874914
benzyl N-[3-hydroxy-5-methyl-7-[[2-(phenylmethoxycarbonylamino)acetyl]amino]octan-2-yl]carbamate
CID 123182658

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methylheptan-2-yl)carbamate?
The IUPAC name of benzyl N-(4-methylheptan-2-yl)carbamate (CID 123859243) is benzyl N-(4-methylheptan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(4-methylheptan-2-yl)carbamate?
The canonical SMILES for benzyl N-(4-methylheptan-2-yl)carbamate is CCCC(C)CC(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-methylheptan-2-yl)carbamate?
The InChIKey is JVVFJKPVNCPNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-8-13(2)11-14(3)17-16(18)19-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H,17,18).
What are the key properties of benzyl N-(4-methylheptan-2-yl)carbamate?
benzyl N-(4-methylheptan-2-yl)carbamate has a molecular weight of 263.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methylheptan-2-yl)carbamate is sourced from PubChem (CID 123859243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).