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

C9H17N3O2 — CID 59325207

IUPAC3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide
SMILESC=CN(C(=O)NCCC(N)=O)C(C)C
InChIInChI=1S/C9H17N3O2/c1-4-12(7(2)3)9(14)11-6-5-8(10)13/h4,7H,1,5-6H2,2-3H3,(H2,10,13)(H,11,14)
InChIKeyCCSBQQLNQNAROQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.43
Rot. Bonds5

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

3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide (PubChem CID 59325207) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide.

Molecular Properties

Compound Name3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide
PubChem CID59325207
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide
SMILESC=CN(C(=O)NCCC(N)=O)C(C)C
InChIInChI=1S/C9H17N3O2/c1-4-12(7(2)3)9(14)11-6-5-8(10)13/h4,7H,1,5-6H2,2-3H3,(H2,10,13)(H,11,14)
InChIKeyCCSBQQLNQNAROQ-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide?
The IUPAC name of 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide (CID 59325207) is 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide.
What is the SMILES notation for 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide?
The canonical SMILES for 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide is C=CN(C(=O)NCCC(N)=O)C(C)C.
What is the InChIKey of 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide?
The InChIKey is CCSBQQLNQNAROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-12(7(2)3)9(14)11-6-5-8(10)13/h4,7H,1,5-6H2,2-3H3,(H2,10,13)(H,11,14).
What are the key properties of 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide?
3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide has a molecular weight of 199.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethenyl(propan-2-yl)carbamoyl]amino]propanamide is sourced from PubChem (CID 59325207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).