(4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

C18H23NO4 — CID 73291989

IUPAC(4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESC[C@@H]1OC(=O)[C@@H]1NC(=O)OC1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H23NO4/c1-12-16(17(20)22-12)19-18(21)23-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,21)/t12-,14?,15?,16+/m0/s1
InChIKeyQNWDMPXQYBUVNW-HOJRLLLISA-N
MW317.38 g/mol
LogP2.83
Rot. Bonds4

About (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

(4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (PubChem CID 73291989) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.

Molecular Properties

Compound Name(4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
PubChem CID73291989
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESC[C@@H]1OC(=O)[C@@H]1NC(=O)OC1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H23NO4/c1-12-16(17(20)22-12)19-18(21)23-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,21)/t12-,14?,15?,16+/m0/s1
InChIKeyQNWDMPXQYBUVNW-HOJRLLLISA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S,3R)-2-Methyl-4-oxooxetane-3-yl]carbamic acid 5-phenylpentyl ester
CID 57523549
N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]-7-phenylheptanamide
CID 70688797
3-phenylmethoxypropyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
CID 73291823
2-phenethyloxyethyl-N-[(2S,3R)-2-methyl-4-oxo-oxetan-3-yl]-carbamate
CID 73291824
(2-methyl-6-phenylhexan-2-yl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
CID 73291825
6-phenylhexan-2-yl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
CID 73291826
(2-methyl-7-phenylheptan-3-yl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
CID 73291828
Naaa-IN-1
CID 73291988
5-phenylpentyl-N-[(2S,3S)-2-methyl-4-oxo-oxetan-3-yl]-carbamate
CID 73294307
5-phenylpentyl-N-[(2R,3R)-2-methyl-4-oxo-oxetan-3-yl]-carbamate
CID 73294308
3-phenylpropyl-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]-carbamate
CID 73294496
4-phenylbutyl-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]-carbamate
CID 73294497

Frequently Asked Questions

What is the IUPAC name of (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The IUPAC name of (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (CID 73291989) is (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.
What is the SMILES notation for (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The canonical SMILES for (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is C[C@@H]1OC(=O)[C@@H]1NC(=O)OC1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The InChIKey is QNWDMPXQYBUVNW-HOJRLLLISA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-16(17(20)22-12)19-18(21)23-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,21)/t12-,14?,15?,16+/m0/s1.
What are the key properties of (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
(4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate has a molecular weight of 317.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylcyclohexyl) N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is sourced from PubChem (CID 73291989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).