[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

C18H26N4O5 — CID 7617061

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCCCNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C18H26N4O5/c1-4-10-19-17(25)21-14(23)11-27-16(24)15(12(2)3)22-18(26)20-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3,(H2,20,22,26)(H2,19,21,23,25)/t15-/m0/s1
InChIKeySYHFPUFEJHOTDY-HNNXBMFYSA-N
MW378.43 g/mol
LogP1.61
Rot. Bonds8

About [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate (PubChem CID 7617061) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
PubChem CID7617061
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCCCNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C18H26N4O5/c1-4-10-19-17(25)21-14(23)11-27-16(24)15(12(2)3)22-18(26)20-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3,(H2,20,22,26)(H2,19,21,23,25)/t15-/m0/s1
InChIKeySYHFPUFEJHOTDY-HNNXBMFYSA-N
XLogP1.61
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616904
[2-(benzylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617252
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 9459247
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(benzenesulfonamido)-3-methylbutanoate
CID 4687481
[2-(2-cyanoethylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616820
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948
[2-(4-carbamoylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617290
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566578
[2-(4-acetylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617308
[2-(4-acetylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617307
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 3691714

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate (CID 7617061) is [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate is CCCNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The InChIKey is SYHFPUFEJHOTDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-4-10-19-17(25)21-14(23)11-27-16(24)15(12(2)3)22-18(26)20-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3,(H2,20,22,26)(H2,19,21,23,25)/t15-/m0/s1.
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate has a molecular weight of 378.43 g/mol, XLogP of 1.61, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 7617061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).