[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate

C24H29ClN2O5 — CID 55926512

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N(C)Cc1ccccc1OC
InChIInChI=1S/C24H29ClN2O5/c1-5-16(2)22(26-23(29)17-10-12-19(25)13-11-17)24(30)32-15-21(28)27(3)14-18-8-6-7-9-20(18)31-4/h6-13,16,22H,5,14-15H2,1-4H3,(H,26,29)/t16-,22-/m0/s1
InChIKeyONGWZUFZNYYFOH-AOMKIAJQSA-N
MW460.96 g/mol
LogP3.69
Rot. Bonds10

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate (PubChem CID 55926512) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
PubChem CID55926512
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N(C)Cc1ccccc1OC
InChIInChI=1S/C24H29ClN2O5/c1-5-16(2)22(26-23(29)17-10-12-19(25)13-11-17)24(30)32-15-21(28)27(3)14-18-8-6-7-9-20(18)31-4/h6-13,16,22H,5,14-15H2,1-4H3,(H,26,29)/t16-,22-/m0/s1
InChIKeyONGWZUFZNYYFOH-AOMKIAJQSA-N
XLogP3.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate with MolForge

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Related Compounds

(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2455107
4-chloro-N-[1-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 112772740
(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate
CID 42898534
(4-methoxyphenyl)methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16578612
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 78765173
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847966
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 55321792
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86910523

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate (CID 55926512) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N(C)Cc1ccccc1OC.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
The InChIKey is ONGWZUFZNYYFOH-AOMKIAJQSA-N. The full InChI is InChI=1S/C24H29ClN2O5/c1-5-16(2)22(26-23(29)17-10-12-19(25)13-11-17)24(30)32-15-21(28)27(3)14-18-8-6-7-9-20(18)31-4/h6-13,16,22H,5,14-15H2,1-4H3,(H,26,29)/t16-,22-/m0/s1.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate has a molecular weight of 460.96 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate is sourced from PubChem (CID 55926512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).