(2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide

C24H29ClN2O3 — CID 99804748

IUPAC(2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H29ClN2O3/c1-18-15-27(16-22(30-18)19-7-3-2-4-8-19)23(28)26-17-24(11-13-29-14-12-24)20-9-5-6-10-21(20)25/h2-10,18,22H,11-17H2,1H3,(H,26,28)/t18-,22-/m0/s1
InChIKeySYEWSJFGGTWCTH-AVRDEDQJSA-N
MW428.96 g/mol
LogP4.56
Rot. Bonds4

About (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide

(2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide (PubChem CID 99804748) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
PubChem CID99804748
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name(2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H29ClN2O3/c1-18-15-27(16-22(30-18)19-7-3-2-4-8-19)23(28)26-17-24(11-13-29-14-12-24)20-9-5-6-10-21(20)25/h2-10,18,22H,11-17H2,1H3,(H,26,28)/t18-,22-/m0/s1
InChIKeySYEWSJFGGTWCTH-AVRDEDQJSA-N
XLogP4.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
CID 86895658
(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
CID 95195537
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
(2S)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348749
(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348750
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 95772472
(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124866660
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide (CID 99804748) is (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The InChIKey is SYEWSJFGGTWCTH-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-18-15-27(16-22(30-18)19-7-3-2-4-8-19)23(28)26-17-24(11-13-29-14-12-24)20-9-5-6-10-21(20)25/h2-10,18,22H,11-17H2,1H3,(H,26,28)/t18-,22-/m0/s1.
What are the key properties of (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
(2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 99804748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).