(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide

C13H19N3O2 — CID 66657978

IUPAC(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
SMILESCC(C)NCC(=O)N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)15-8-11(17)16-12(13(14)18)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H2,14,18)(H,16,17)/t12-/m0/s1
InChIKeyXXUICALRIULTNG-LBPRGKRZSA-N
MW249.31 g/mol
LogP0.33
Rot. Bonds6

About (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide

(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide (PubChem CID 66657978) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
PubChem CID66657978
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
SMILESCC(C)NCC(=O)N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)15-8-11(17)16-12(13(14)18)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H2,14,18)(H,16,17)/t12-/m0/s1
InChIKeyXXUICALRIULTNG-LBPRGKRZSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-nitrosoacetyl)amino]-2-phenylacetamide
CID 143353475
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N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-phenylacetamide
CID 94514859
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-phenylacetamide
CID 111430361
(2R)-2-[[2-(benzylcarbamoylamino)acetyl]amino]-2-phenylacetamide
CID 41433363
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820
(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide (CID 66657978) is (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide is CC(C)NCC(=O)N[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide?
The InChIKey is XXUICALRIULTNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)15-8-11(17)16-12(13(14)18)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H2,14,18)(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide?
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide is sourced from PubChem (CID 66657978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).