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(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

C17H26N4O3 — CID 8767355

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26N4O3/c1-17(2,3)20-13(22)11-21(5)14(12-9-7-6-8-10-12)15(23)19-16(24)18-4/h6-10,14H,11H2,1-5H3,(H,20,22)(H2,18,19,23,24)/t14-/m0/s1
InChIKeyNITDZDUHQHVRFS-AWEZNQCLSA-N
MW334.42 g/mol
LogP1.03
Rot. Bonds5

About (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 8767355) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID8767355
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26N4O3/c1-17(2,3)20-13(22)11-21(5)14(12-9-7-6-8-10-12)15(23)19-16(24)18-4/h6-10,14H,11H2,1-5H3,(H,20,22)(H2,18,19,23,24)/t14-/m0/s1
InChIKeyNITDZDUHQHVRFS-AWEZNQCLSA-N
XLogP1.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 8767355) is (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is NITDZDUHQHVRFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)20-13(22)11-21(5)14(12-9-7-6-8-10-12)15(23)19-16(24)18-4/h6-10,14H,11H2,1-5H3,(H,20,22)(H2,18,19,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 8767355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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