2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide

C12H17N3O3 — CID 83030049

IUPAC2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
SMILESC[C@H](O)CNC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O3/c1-8(16)7-14-11(17)10(15-12(13)18)9-5-3-2-4-6-9/h2-6,8,10,16H,7H2,1H3,(H,14,17)(H3,13,15,18)/t8-,10?/m0/s1
InChIKeyYGURSDTVQGCKCZ-PEHGTWAWSA-N
MW251.29 g/mol
LogP-0.11
Rot. Bonds5

About 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide

2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide (PubChem CID 83030049) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
PubChem CID83030049
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
SMILESC[C@H](O)CNC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O3/c1-8(16)7-14-11(17)10(15-12(13)18)9-5-3-2-4-6-9/h2-6,8,10,16H,7H2,1H3,(H,14,17)(H3,13,15,18)/t8-,10?/m0/s1
InChIKeyYGURSDTVQGCKCZ-PEHGTWAWSA-N
XLogP-0.11
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[(2R)-2-hydroxypropyl]-2-phenylacetamide
CID 83031308
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174600
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
(2S)-2-[[2-(carbamoylamino)-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 61136132
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide (CID 83030049) is 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide is C[C@H](O)CNC(=O)C(NC(N)=O)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide?
The InChIKey is YGURSDTVQGCKCZ-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(16)7-14-11(17)10(15-12(13)18)9-5-3-2-4-6-9/h2-6,8,10,16H,7H2,1H3,(H,14,17)(H3,13,15,18)/t8-,10?/m0/s1.
What are the key properties of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide?
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide has a molecular weight of 251.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide is sourced from PubChem (CID 83030049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).