N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide

C9H19N3O3 — CID 115359996

IUPACN-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
SMILESCC(NCC(C)(C)CO)C(=O)NC(N)=O
InChIInChI=1S/C9H19N3O3/c1-6(7(14)12-8(10)15)11-4-9(2,3)5-13/h6,11,13H,4-5H2,1-3H3,(H3,10,12,14,15)
InChIKeyDFMSYTXOJUUCRF-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.82
Rot. Bonds5

About N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide

N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide (PubChem CID 115359996) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
PubChem CID115359996
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
SMILESCC(NCC(C)(C)CO)C(=O)NC(N)=O
InChIInChI=1S/C9H19N3O3/c1-6(7(14)12-8(10)15)11-4-9(2,3)5-13/h6,11,13H,4-5H2,1-3H3,(H3,10,12,14,15)
InChIKeyDFMSYTXOJUUCRF-UHFFFAOYSA-N
XLogP-0.82
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106176747
N-carbamoyl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664044
N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide
CID 83144225
N-cyclohexyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 113293835
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
N-carbamoyl-2-(2,3-dimethylbutylamino)propanamide
CID 64569124
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide
CID 103520475
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide
CID 106146607
N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide
CID 107152658

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide (CID 115359996) is N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide is CC(NCC(C)(C)CO)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
The InChIKey is DFMSYTXOJUUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(7(14)12-8(10)15)11-4-9(2,3)5-13/h6,11,13H,4-5H2,1-3H3,(H3,10,12,14,15).
What are the key properties of N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide has a molecular weight of 217.27 g/mol, XLogP of -0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide is sourced from PubChem (CID 115359996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).