4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide

C20H27ClN2O4 — CID 110305687

IUPAC4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
SMILESCC(C)C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H27ClN2O4/c1-14(2)13-17(20(26)23-9-11-27-12-10-23)22-19(25)8-7-18(24)15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyBPQLNFCDTXRFDW-KRWDZBQOSA-N
MW394.90 g/mol
LogP2.69
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide (PubChem CID 110305687) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
PubChem CID110305687
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
SMILESCC(C)C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H27ClN2O4/c1-14(2)13-17(20(26)23-9-11-27-12-10-23)22-19(25)8-7-18(24)15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyBPQLNFCDTXRFDW-KRWDZBQOSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
3-(3-chlorophenyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)propanamide
CID 110625547
4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
CID 37034025
1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea
CID 110305706
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
2,4-dichloro-N-[4-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 43051412
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
4-chloro-N-[4-methyl-1-(1-morpholin-4-ylpropan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 55715611
4-chloro-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254267
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide (CID 110305687) is 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide is CC(C)C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
The InChIKey is BPQLNFCDTXRFDW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-14(2)13-17(20(26)23-9-11-27-12-10-23)22-19(25)8-7-18(24)15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide has a molecular weight of 394.90 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide is sourced from PubChem (CID 110305687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).