2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone

C21H30ClNO3 — CID 41118613

IUPAC2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone
SMILESCC(C)[C@@H]1C[C@](CC(=O)N2CCOCC2)(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C21H30ClNO3/c1-16(2)19-14-21(7-10-26-19,13-17-5-3-4-6-18(17)22)15-20(24)23-8-11-25-12-9-23/h3-6,16,19H,7-15H2,1-2H3/t19-,21+/m0/s1
InChIKeyMPWFRYDAKBWWJY-PZJWPPBQSA-N
MW379.93 g/mol
LogP3.95
Rot. Bonds5

About 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone

2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone (PubChem CID 41118613) has the molecular formula C21H30ClNO3 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone
PubChem CID41118613
Molecular FormulaC21H30ClNO3
Molecular Weight379.93 g/mol
Exact Mass379.19
IUPAC Name2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone
SMILESCC(C)[C@@H]1C[C@](CC(=O)N2CCOCC2)(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C21H30ClNO3/c1-16(2)19-14-21(7-10-26-19,13-17-5-3-4-6-18(17)22)15-20(24)23-8-11-25-12-9-23/h3-6,16,19H,7-15H2,1-2H3/t19-,21+/m0/s1
InChIKeyMPWFRYDAKBWWJY-PZJWPPBQSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone
CID 951130
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655
N-[[4-[(2-chlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 62904848
3-methyl-1-[(3S)-3-(2-morpholin-4-yl-2-oxoethyl)-3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 125010904
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56752488
2-[(3S)-1-(2-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124978735
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]-N-phenylacetamide
CID 9391214
2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]acetamide
CID 928210

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone (CID 41118613) is 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone is CC(C)[C@@H]1C[C@](CC(=O)N2CCOCC2)(Cc2ccccc2Cl)CCO1.
What is the InChIKey of 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is MPWFRYDAKBWWJY-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H30ClNO3/c1-16(2)19-14-21(7-10-26-19,13-17-5-3-4-6-18(17)22)15-20(24)23-8-11-25-12-9-23/h3-6,16,19H,7-15H2,1-2H3/t19-,21+/m0/s1.
What are the key properties of 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone?
2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 379.93 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 41118613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).