benzyl N-(4-hydroxyhexan-3-yl)carbamate

C14H21NO3 — CID 131068956

IUPACbenzyl N-(4-hydroxyhexan-3-yl)carbamate
SMILESCCC(O)C(CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-12(13(16)4-2)15-14(17)18-10-11-8-6-5-7-9-11/h5-9,12-13,16H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyXOYBIGVNUBPESY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.46
Rot. Bonds6

About benzyl N-(4-hydroxyhexan-3-yl)carbamate

benzyl N-(4-hydroxyhexan-3-yl)carbamate (PubChem CID 131068956) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is benzyl N-(4-hydroxyhexan-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-hydroxyhexan-3-yl)carbamate
PubChem CID131068956
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namebenzyl N-(4-hydroxyhexan-3-yl)carbamate
SMILESCCC(O)C(CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-12(13(16)4-2)15-14(17)18-10-11-8-6-5-7-9-11/h5-9,12-13,16H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyXOYBIGVNUBPESY-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(1,1-dimethoxybutan-2-yl)carbamate
CID 131091159
benzyl N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyl-1,6-diphenylhexan-2-yl]carbamate
CID 58416941
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
methyl (3R,4S)-3-hydroxy-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 139247104
benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate
CID 22951368
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450
methyl 2-ethenyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 101029645
benzyl N-[(2S,3S)-1,3-dihydroxytridecan-2-yl]carbamate
CID 140979955
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 10087705
benzyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
CID 45072684
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-hydroxyhexan-3-yl)carbamate?
The IUPAC name of benzyl N-(4-hydroxyhexan-3-yl)carbamate (CID 131068956) is benzyl N-(4-hydroxyhexan-3-yl)carbamate.
What is the SMILES notation for benzyl N-(4-hydroxyhexan-3-yl)carbamate?
The canonical SMILES for benzyl N-(4-hydroxyhexan-3-yl)carbamate is CCC(O)C(CC)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-hydroxyhexan-3-yl)carbamate?
The InChIKey is XOYBIGVNUBPESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-12(13(16)4-2)15-14(17)18-10-11-8-6-5-7-9-11/h5-9,12-13,16H,3-4,10H2,1-2H3,(H,15,17).
What are the key properties of benzyl N-(4-hydroxyhexan-3-yl)carbamate?
benzyl N-(4-hydroxyhexan-3-yl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-hydroxyhexan-3-yl)carbamate is sourced from PubChem (CID 131068956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).