(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide

C16H24N4O3 — CID 94413285

IUPAC(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NC(=O)CN(CC(N)=O)C(C)C)c1ccccc1
InChIInChI=1S/C16H24N4O3/c1-11(2)20(9-13(17)21)10-14(22)19-15(16(23)18-3)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H2,17,21)(H,18,23)(H,19,22)/t15-/m1/s1
InChIKeyOAZROKGEUJFTTJ-OAHLLOKOSA-N
MW320.39 g/mol
LogP-0.21
Rot. Bonds8

About (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 94413285) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID94413285
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NC(=O)CN(CC(N)=O)C(C)C)c1ccccc1
InChIInChI=1S/C16H24N4O3/c1-11(2)20(9-13(17)21)10-14(22)19-15(16(23)18-3)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H2,17,21)(H,18,23)(H,19,22)/t15-/m1/s1
InChIKeyOAZROKGEUJFTTJ-OAHLLOKOSA-N
XLogP-0.21
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide with MolForge

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Related Compounds

(2S)-2-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 97245219
2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 87015978
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87016564
2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
CID 64536746
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243480
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
2-[[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56815209
3-amino-5-methyl-N-[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-oxohexanamide
CID 70315104
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide (CID 94413285) is (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NC(=O)CN(CC(N)=O)C(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is OAZROKGEUJFTTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)20(9-13(17)21)10-14(22)19-15(16(23)18-3)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H2,17,21)(H,18,23)(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 320.39 g/mol, XLogP of -0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 94413285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).