benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate

C23H29NO3 — CID 14974102

IUPACbenzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate
SMILESO=C(NC(CCc1ccccc1)C1(O)CCCCC1)OCc1ccccc1
InChIInChI=1S/C23H29NO3/c25-22(27-18-20-12-6-2-7-13-20)24-21(23(26)16-8-3-9-17-23)15-14-19-10-4-1-5-11-19/h1-2,4-7,10-13,21,26H,3,8-9,14-18H2,(H,24,25)
InChIKeyHPNOZXHKEMSEEG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.61
Rot. Bonds7

About benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate

benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate (PubChem CID 14974102) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate
PubChem CID14974102
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Namebenzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate
SMILESO=C(NC(CCc1ccccc1)C1(O)CCCCC1)OCc1ccccc1
InChIInChI=1S/C23H29NO3/c25-22(27-18-20-12-6-2-7-13-20)24-21(23(26)16-8-3-9-17-23)15-14-19-10-4-1-5-11-19/h1-2,4-7,10-13,21,26H,3,8-9,14-18H2,(H,24,25)
InChIKeyHPNOZXHKEMSEEG-UHFFFAOYSA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R)-1-[(2S)-3,3-dihydroxyoxiran-2-yl]-3-phenylpropyl]carbamate
CID 57026651
(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7010615
benzyl N-[(2R)-1-amino-2-hydroxy-4-phenylbutyl]carbamate
CID 56996199
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-(1-bromo-2-oxo-5-phenylpentan-3-yl)carbamate
CID 114929893
benzyl N-(1-chloro-2-oxo-5-phenylpentan-3-yl)carbamate
CID 114929890
1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 165465604
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
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-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate?
The IUPAC name of benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate (CID 14974102) is benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate.
What is the SMILES notation for benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate?
The canonical SMILES for benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate is O=C(NC(CCc1ccccc1)C1(O)CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate?
The InChIKey is HPNOZXHKEMSEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-22(27-18-20-12-6-2-7-13-20)24-21(23(26)16-8-3-9-17-23)15-14-19-10-4-1-5-11-19/h1-2,4-7,10-13,21,26H,3,8-9,14-18H2,(H,24,25).
What are the key properties of benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate?
benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate has a molecular weight of 367.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate is sourced from PubChem (CID 14974102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).