N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide

C9H19N3O3 — CID 60706598

IUPACN-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCO)CCC(=O)NC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(2)12(5-6-13)4-3-8(14)11-9(10)15/h7,13H,3-6H2,1-2H3,(H3,10,11,14,15)
InChIKeyIFZHKLCDILUFGT-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.73
Rot. Bonds6

About N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide

N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide (PubChem CID 60706598) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
PubChem CID60706598
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCO)CCC(=O)NC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(2)12(5-6-13)4-3-8(14)11-9(10)15/h7,13H,3-6H2,1-2H3,(H3,10,11,14,15)
InChIKeyIFZHKLCDILUFGT-UHFFFAOYSA-N
XLogP-0.73
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62326642
N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide
CID 43061704
N-carbamoyl-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102676860
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62021726
tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
CID 115685980
3-[2-hydroxyethyl(pentan-3-yl)amino]propanehydrazide
CID 63585165
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691915
2-(carbamoylamino)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573322
methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
CID 60648030
3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
CID 74655069
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide (CID 60706598) is N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide is CC(C)N(CCO)CCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
The InChIKey is IFZHKLCDILUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(2)12(5-6-13)4-3-8(14)11-9(10)15/h7,13H,3-6H2,1-2H3,(H3,10,11,14,15).
What are the key properties of N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide?
N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide has a molecular weight of 217.27 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 60706598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).