4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide

C25H31ClN4O4 — CID 24620522

IUPAC4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C25H31ClN4O4/c1-3-17(2)23(29-24(32)18-4-6-19(26)7-5-18)25(33)28-21-10-8-20(9-11-21)27-22(31)16-30-12-14-34-15-13-30/h4-11,17,23H,3,12-16H2,1-2H3,(H,27,31)(H,28,33)(H,29,32)
InChIKeyRLKMOYZJGKDSQK-UHFFFAOYSA-N
MW487.00 g/mol
LogP3.39
Rot. Bonds9

About 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide

4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide (PubChem CID 24620522) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide
PubChem CID24620522
Molecular FormulaC25H31ClN4O4
Molecular Weight487.00 g/mol
Exact Mass486.20
IUPAC Name4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C25H31ClN4O4/c1-3-17(2)23(29-24(32)18-4-6-19(26)7-5-18)25(33)28-21-10-8-20(9-11-21)27-22(31)16-30-12-14-34-15-13-30/h4-11,17,23H,3,12-16H2,1-2H3,(H,27,31)(H,28,33)(H,29,32)
InChIKeyRLKMOYZJGKDSQK-UHFFFAOYSA-N
XLogP3.39
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide with MolForge

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Related Compounds

4-chloro-N-[(2R,3R)-1-(4-cyanoanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 2523193
2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide
CID 30779690
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 33267225
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
4-chloro-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxopentan-2-yl]benzamide
CID 134016338
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 134047768
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55793069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide (CID 24620522) is 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide?
The InChIKey is RLKMOYZJGKDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O4/c1-3-17(2)23(29-24(32)18-4-6-19(26)7-5-18)25(33)28-21-10-8-20(9-11-21)27-22(31)16-30-12-14-34-15-13-30/h4-11,17,23H,3,12-16H2,1-2H3,(H,27,31)(H,28,33)(H,29,32).
What are the key properties of 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide has a molecular weight of 487.00 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24620522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).