N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide

C10H19N3O2 — CID 115632114

IUPACN-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
SMILESC=CCC(C)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C10H19N3O2/c1-5-6-7(2)12-8(3)9(14)13-10(15)11-4/h5,7-8,12H,1,6H2,2-4H3,(H2,11,13,14,15)
InChIKeyWEEADMOQKIMOAS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.38
Rot. Bonds5

About N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide

N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide (PubChem CID 115632114) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
PubChem CID115632114
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
SMILESC=CCC(C)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C10H19N3O2/c1-5-6-7(2)12-8(3)9(14)13-10(15)11-4/h5,7-8,12H,1,6H2,2-4H3,(H2,11,13,14,15)
InChIKeyWEEADMOQKIMOAS-UHFFFAOYSA-N
XLogP0.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.38
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-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide (CID 115632114) is N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide is C=CCC(C)NC(C)C(=O)NC(=O)NC.
What is the InChIKey of N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide?
The InChIKey is WEEADMOQKIMOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-6-7(2)12-8(3)9(14)13-10(15)11-4/h5,7-8,12H,1,6H2,2-4H3,(H2,11,13,14,15).
What are the key properties of N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide?
N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide has a molecular weight of 213.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide is sourced from PubChem (CID 115632114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).