4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate

C17H25NO3 — CID 154666023

IUPAC4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate
SMILESO=C(NC1CCC(O)CC1)OCCCCc1ccccc1
InChIInChI=1S/C17H25NO3/c19-16-11-9-15(10-12-16)18-17(20)21-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,18,20)
InChIKeyQTLZJDPJJPBROA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.04
Rot. Bonds6

About 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate

4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate (PubChem CID 154666023) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Name4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate
PubChem CID154666023
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate
SMILESO=C(NC1CCC(O)CC1)OCCCCc1ccccc1
InChIInChI=1S/C17H25NO3/c19-16-11-9-15(10-12-16)18-17(20)21-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,18,20)
InChIKeyQTLZJDPJJPBROA-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
Aminodiol deriv. 15a
CID 455712
propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452451
L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452453
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384
((1S,2S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino-2,3-dihydroxy-5-phenyl-pentyl)-carbamic acid tert-butyl ester
CID 10255433
1-(4-Hydroxycyclohexyl)-3-(4-phenylbutyl)urea
CID 154665770
1-(4-Hydroxy-2-methylcyclohexyl)-3-(4-phenylbutyl)urea
CID 154665781
N-(4-hydroxycyclohexyl)-2-(3-phenylpropoxy)acetamide
CID 154666019

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate?
The IUPAC name of 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate (CID 154666023) is 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate?
The canonical SMILES for 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate is O=C(NC1CCC(O)CC1)OCCCCc1ccccc1.
What is the InChIKey of 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate?
The InChIKey is QTLZJDPJJPBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16-11-9-15(10-12-16)18-17(20)21-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H,18,20).
What are the key properties of 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate?
4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutyl N-(4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 154666023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).