N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide

C18H23ClN2O3 — CID 166222335

IUPACN-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O3/c19-15-3-1-12(2-4-15)14-9-16(10-14)21-17(22)11-20-18(23)13-5-7-24-8-6-13/h1-4,13-14,16H,5-11H2,(H,20,23)(H,21,22)
InChIKeyGJKPYSZXDGIYPK-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide

N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide (PubChem CID 166222335) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide
PubChem CID166222335
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O3/c19-15-3-1-12(2-4-15)14-9-16(10-14)21-17(22)11-20-18(23)13-5-7-24-8-6-13/h1-4,13-14,16H,5-11H2,(H,20,23)(H,21,22)
InChIKeyGJKPYSZXDGIYPK-UHFFFAOYSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
N-[3-(4-chlorophenyl)cyclobutyl]-2-cyanoacetamide
CID 166222343
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 112993782
N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001519
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18121101
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
CID 124739967
2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
CID 63100059
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide (CID 166222335) is N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide is O=C(CNC(=O)C1CCOCC1)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is GJKPYSZXDGIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-15-3-1-12(2-4-15)14-9-16(10-14)21-17(22)11-20-18(23)13-5-7-24-8-6-13/h1-4,13-14,16H,5-11H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide?
N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 166222335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).