(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide

C19H27ClN2O4 — CID 94656763

IUPAC(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O4/c20-16-6-4-15(5-7-16)18-13-22(9-12-26-18)19(23)21-8-2-10-24-14-17-3-1-11-25-17/h4-7,17-18H,1-3,8-14H2,(H,21,23)/t17-,18+/m0/s1
InChIKeyZFIHYPLHOXTQER-ZWKOTPCHSA-N
MW382.89 g/mol
LogP3.01
Rot. Bonds7

About (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide

(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide (PubChem CID 94656763) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
PubChem CID94656763
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Name(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O4/c20-16-6-4-15(5-7-16)18-13-22(9-12-26-18)19(23)21-8-2-10-24-14-17-3-1-11-25-17/h4-7,17-18H,1-3,8-14H2,(H,21,23)/t17-,18+/m0/s1
InChIKeyZFIHYPLHOXTQER-ZWKOTPCHSA-N
XLogP3.01
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
CID 95187138
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
4-[[2-(4-bromophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021453
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide (CID 94656763) is (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide is O=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
The InChIKey is ZFIHYPLHOXTQER-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c20-16-6-4-15(5-7-16)18-13-22(9-12-26-18)19(23)21-8-2-10-24-14-17-3-1-11-25-17/h4-7,17-18H,1-3,8-14H2,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide is sourced from PubChem (CID 94656763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).