N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide

C9H17N3O2 — CID 103520475

IUPACN-carbamoyl-2-(3-methylbut-2-enylamino)propanamide
SMILESCC(C)=CCNC(C)C(=O)NC(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(2)4-5-11-7(3)8(13)12-9(10)14/h4,7,11H,5H2,1-3H3,(H3,10,12,13,14)
InChIKeyXSRBKBRSANQSJC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.13
Rot. Bonds4

About N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide

N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide (PubChem CID 103520475) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-methylbut-2-enylamino)propanamide
PubChem CID103520475
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-carbamoyl-2-(3-methylbut-2-enylamino)propanamide
SMILESCC(C)=CCNC(C)C(=O)NC(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(2)4-5-11-7(3)8(13)12-9(10)14/h4,7,11H,5H2,1-3H3,(H3,10,12,13,14)
InChIKeyXSRBKBRSANQSJC-UHFFFAOYSA-N
XLogP0.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide (CID 103520475) is N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide is CC(C)=CCNC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide?
The InChIKey is XSRBKBRSANQSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)4-5-11-7(3)8(13)12-9(10)14/h4,7,11H,5H2,1-3H3,(H3,10,12,13,14).
What are the key properties of N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide?
N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide has a molecular weight of 199.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide is sourced from PubChem (CID 103520475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).