benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate

C17H27NO3 — CID 22951368

IUPACbenzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate
SMILESCCC(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
InChIInChI=1S/C17H27NO3/c1-6-15(13(2)21-17(3,4)5)18-16(19)20-12-14-10-8-7-9-11-14/h7-11,13,15H,6,12H2,1-5H3,(H,18,19)
InChIKeyYGRVZADAQDORRW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.89
Rot. Bonds6

About benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate

benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate (PubChem CID 22951368) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate
PubChem CID22951368
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namebenzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate
SMILESCCC(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
InChIInChI=1S/C17H27NO3/c1-6-15(13(2)21-17(3,4)5)18-16(19)20-12-14-10-8-7-9-11-14/h7-11,13,15H,6,12H2,1-5H3,(H,18,19)
InChIKeyYGRVZADAQDORRW-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butyl] methanesulfonate
CID 18316337
(2R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid;sulfane
CID 160908692
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
benzyl N-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 77305270
benzyl N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]carbamate
CID 162467549
benzyl N-(1,1-dimethoxybutan-2-yl)carbamate
CID 131091159
benzyl 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 123691053
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 70496555
tert-butyl (3S)-4-hydroxy-3-(phenylmethoxycarbonylamino)pentanoate
CID 91448999
benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate
CID 144673303
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate?
The IUPAC name of benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate (CID 22951368) is benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate?
The canonical SMILES for benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate is CCC(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C.
What is the InChIKey of benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate?
The InChIKey is YGRVZADAQDORRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-15(13(2)21-17(3,4)5)18-16(19)20-12-14-10-8-7-9-11-14/h7-11,13,15H,6,12H2,1-5H3,(H,18,19).
What are the key properties of benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate?
benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate is sourced from PubChem (CID 22951368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).