4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide

C18H26ClN3O3 — CID 35352443

IUPAC4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide
SMILESCCCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC
InChIInChI=1S/C18H26ClN3O3/c1-4-10-20-15(23)11-21-18(25)16(12(3)5-2)22-17(24)13-6-8-14(19)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)/t12-,16-/m0/s1
InChIKeyVRGJEUKQTJRLKD-LRDDRELGSA-N
MW367.88 g/mol
LogP2.13
Rot. Bonds9

About 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide

4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide (PubChem CID 35352443) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide
PubChem CID35352443
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide
SMILESCCCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC
InChIInChI=1S/C18H26ClN3O3/c1-4-10-20-15(23)11-21-18(25)16(12(3)5-2)22-17(24)13-6-8-14(19)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)/t12-,16-/m0/s1
InChIKeyVRGJEUKQTJRLKD-LRDDRELGSA-N
XLogP2.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide with MolForge

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Related Compounds

2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
4-chloro-N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78796642
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4827657
4-chloro-N-[(2S,3S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24539398
4-chloro-N-[(2R,3R)-1-(4-cyanoanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 2523193
4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide
CID 43009828
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 95151348
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide (CID 35352443) is 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide is CCCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC.
What is the InChIKey of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide?
The InChIKey is VRGJEUKQTJRLKD-LRDDRELGSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-4-10-20-15(23)11-21-18(25)16(12(3)5-2)22-17(24)13-6-8-14(19)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)/t12-,16-/m0/s1.
What are the key properties of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide?
4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide has a molecular weight of 367.88 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide is sourced from PubChem (CID 35352443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).