2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide

C13H19N3O3 — CID 65031979

IUPAC2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
SMILESCC(CO)CNC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-9(8-17)7-15-12(18)11(16-13(14)19)10-5-3-2-4-6-10/h2-6,9,11,17H,7-8H2,1H3,(H,15,18)(H3,14,16,19)
InChIKeyKROSFRJOEGXCKY-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.14
Rot. Bonds6

About 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide

2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide (PubChem CID 65031979) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
PubChem CID65031979
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
SMILESCC(CO)CNC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-9(8-17)7-15-12(18)11(16-13(14)19)10-5-3-2-4-6-10/h2-6,9,11,17H,7-8H2,1H3,(H,15,18)(H3,14,16,19)
InChIKeyKROSFRJOEGXCKY-UHFFFAOYSA-N
XLogP0.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.14
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-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 83030049
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174600
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
(2S)-2-[[2-(carbamoylamino)-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 61136132
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
CID 115776830
2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62521560
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 81073197

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide (CID 65031979) is 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide is CC(CO)CNC(=O)C(NC(N)=O)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide?
The InChIKey is KROSFRJOEGXCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(8-17)7-15-12(18)11(16-13(14)19)10-5-3-2-4-6-10/h2-6,9,11,17H,7-8H2,1H3,(H,15,18)(H3,14,16,19).
What are the key properties of 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide?
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 65031979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).