1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide

C19H27NO3 — CID 97224093

IUPAC1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NC[C@@H](O)C1CCOCC1)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H27NO3/c21-17(16-7-11-23-12-8-16)14-20-18(22)19(9-4-10-19)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,21H,4,7-14H2,(H,20,22)/t17-/m1/s1
InChIKeyRBWGRVOEJOZWFP-QGZVFWFLSA-N
MW317.43 g/mol
LogP2.30
Rot. Bonds6

About 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide

1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 97224093) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID97224093
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NC[C@@H](O)C1CCOCC1)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H27NO3/c21-17(16-7-11-23-12-8-16)14-20-18(22)19(9-4-10-19)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,21H,4,7-14H2,(H,20,22)/t17-/m1/s1
InChIKeyRBWGRVOEJOZWFP-QGZVFWFLSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 71977317
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide
CID 119529111
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 120947067
oxan-4-yl-(1-phenylcyclobutyl)methanol
CID 63936880
1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
CID 71919724
4-benzyl-N-(1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 110090611
(2S)-2-[[2-[(1-benzylcyclobutanecarbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695756
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
CID 99997106

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide (CID 97224093) is 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide is O=C(NC[C@@H](O)C1CCOCC1)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is RBWGRVOEJOZWFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27NO3/c21-17(16-7-11-23-12-8-16)14-20-18(22)19(9-4-10-19)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,21H,4,7-14H2,(H,20,22)/t17-/m1/s1.
What are the key properties of 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 97224093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).