[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate

C17H25N3O4 — CID 2409785

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate
SMILESCc1ccc(CNC(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)cc1
InChIInChI=1S/C17H25N3O4/c1-11(2)8-14(20-17(18)23)16(22)24-10-15(21)19-9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,19,21)(H3,18,20,23)/t14-/m0/s1
InChIKeyPZXYLQZINFCJKT-AWEZNQCLSA-N
MW335.40 g/mol
LogP1.24
Rot. Bonds8

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate (PubChem CID 2409785) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate
PubChem CID2409785
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate
SMILESCc1ccc(CNC(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)cc1
InChIInChI=1S/C17H25N3O4/c1-11(2)8-14(20-17(18)23)16(22)24-10-15(21)19-9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,19,21)(H3,18,20,23)/t14-/m0/s1
InChIKeyPZXYLQZINFCJKT-AWEZNQCLSA-N
XLogP1.24
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate with MolForge

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylpentanoate
CID 2409784
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 107232747
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582782
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
(2,5-dimethylphenyl)methyl (2S)-2-(carbamoylamino)-4-methylpentanoate
CID 8934238
ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 7990905
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate
CID 4832385
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 2566739
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472867

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate (CID 2409785) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate is Cc1ccc(CNC(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate?
The InChIKey is PZXYLQZINFCJKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11(2)8-14(20-17(18)23)16(22)24-10-15(21)19-9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,19,21)(H3,18,20,23)/t14-/m0/s1.
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate has a molecular weight of 335.40 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate is sourced from PubChem (CID 2409785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).