N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide

C17H23ClN2O3 — CID 112503792

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1CCCO1
InChIInChI=1S/C17H23ClN2O3/c18-14-5-3-13(4-6-14)15(20-7-10-22-11-8-20)12-19-17(21)16-2-1-9-23-16/h3-6,15-16H,1-2,7-12H2,(H,19,21)
InChIKeyDPAHTVWKZLHYQE-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide (PubChem CID 112503792) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
PubChem CID112503792
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1CCCO1
InChIInChI=1S/C17H23ClN2O3/c18-14-5-3-13(4-6-14)15(20-7-10-22-11-8-20)12-19-17(21)16-2-1-9-23-16/h3-6,15-16H,1-2,7-12H2,(H,19,21)
InChIKeyDPAHTVWKZLHYQE-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
(2S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 94180518
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506848
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112504090
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 119867123
(2S,4S)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634641
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide (CID 112503792) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1CCCO1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide?
The InChIKey is DPAHTVWKZLHYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-14-5-3-13(4-6-14)15(20-7-10-22-11-8-20)12-19-17(21)16-2-1-9-23-16/h3-6,15-16H,1-2,7-12H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112503792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).