N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide

C12H17N3O3 — CID 115619664

IUPACN-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
SMILESCC(CO)(NCC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O3/c1-12(8-16,9-5-3-2-4-6-9)14-7-10(17)15-11(13)18/h2-6,14,16H,7-8H2,1H3,(H3,13,15,17,18)
InChIKeyNADJUJBIPGBSSC-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.32
Rot. Bonds5

About N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide

N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide (PubChem CID 115619664) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
PubChem CID115619664
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
SMILESCC(CO)(NCC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O3/c1-12(8-16,9-5-3-2-4-6-9)14-7-10(17)15-11(13)18/h2-6,14,16H,7-8H2,1H3,(H3,13,15,17,18)
InChIKeyNADJUJBIPGBSSC-UHFFFAOYSA-N
XLogP-0.32
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-cyclopropyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
CID 115619639
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115621387
N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide
CID 113234324
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115619743

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide?
The IUPAC name of N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide (CID 115619664) is N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide is CC(CO)(NCC(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide?
The InChIKey is NADJUJBIPGBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(8-16,9-5-3-2-4-6-9)14-7-10(17)15-11(13)18/h2-6,14,16H,7-8H2,1H3,(H3,13,15,17,18).
What are the key properties of N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide?
N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide is sourced from PubChem (CID 115619664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).