benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate

C15H23NO3 — CID 20577893

IUPACbenzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
SMILESCC(C)CC(O)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(2)9-14(17)12(3)16-15(18)19-10-13-7-5-4-6-8-13/h4-8,11-12,14,17H,9-10H2,1-3H3,(H,16,18)
InChIKeyCPAFRDLHXYZRKW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.71
Rot. Bonds6

About benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate

benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate (PubChem CID 20577893) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
PubChem CID20577893
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namebenzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
SMILESCC(C)CC(O)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(2)9-14(17)12(3)16-15(18)19-10-13-7-5-4-6-8-13/h4-8,11-12,14,17H,9-10H2,1-3H3,(H,16,18)
InChIKeyCPAFRDLHXYZRKW-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
benzyl N-[3-hydroxy-5-methyl-7-[[2-(phenylmethoxycarbonylamino)acetyl]amino]octan-2-yl]carbamate
CID 123182658
benzyl N-(2-methyl-6-oxoheptan-4-yl)carbamate
CID 11780822
benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 123232862
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
methyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate
CID 10804650
benzyl N-[(4R,5S)-5-hydroxy-2-methyloct-7-en-4-yl]carbamate
CID 10913307
benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
CID 67715838
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate?
The IUPAC name of benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate (CID 20577893) is benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate?
The canonical SMILES for benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate is CC(C)CC(O)C(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate?
The InChIKey is CPAFRDLHXYZRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)9-14(17)12(3)16-15(18)19-10-13-7-5-4-6-8-13/h4-8,11-12,14,17H,9-10H2,1-3H3,(H,16,18).
What are the key properties of benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate?
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate is sourced from PubChem (CID 20577893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).