benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate

C18H25NO4 — CID 174482515

IUPACbenzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate
SMILESCC(O)C(C(=O)NC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H25NO4/c1-13(20)16(15-10-6-3-7-11-15)17(21)19-18(22)23-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16,20H,3,6-7,10-12H2,1H3,(H,19,21,22)
InChIKeyBLTGVULLQBXRAY-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.02
Rot. Bonds5

About benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate

benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate (PubChem CID 174482515) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate
PubChem CID174482515
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namebenzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate
SMILESCC(O)C(C(=O)NC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H25NO4/c1-13(20)16(15-10-6-3-7-11-15)17(21)19-18(22)23-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16,20H,3,6-7,10-12H2,1H3,(H,19,21,22)
InChIKeyBLTGVULLQBXRAY-UHFFFAOYSA-N
XLogP3.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[(2S)-2-[7-[[(2S)-1-oxo-1-(phenylmethoxycarbonylamino)propan-2-yl]amino]heptylamino]propanoyl]carbamate
CID 123365033
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate?
The IUPAC name of benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate (CID 174482515) is benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate.
What is the SMILES notation for benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate?
The canonical SMILES for benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate is CC(O)C(C(=O)NC(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate?
The InChIKey is BLTGVULLQBXRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(20)16(15-10-6-3-7-11-15)17(21)19-18(22)23-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16,20H,3,6-7,10-12H2,1H3,(H,19,21,22).
What are the key properties of benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate?
benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate has a molecular weight of 319.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate is sourced from PubChem (CID 174482515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).