2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide

C9H17N3O2 — CID 60636446

IUPAC2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C9H17N3O2/c1-4-5-11-8(13)7(6(2)3)12-9(10)14/h4,6-7H,1,5H2,2-3H3,(H,11,13)(H3,10,12,14)
InChIKeyZPSNLFUEBVRLJX-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.02
Rot. Bonds5

About 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide

2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide (PubChem CID 60636446) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
PubChem CID60636446
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C9H17N3O2/c1-4-5-11-8(13)7(6(2)3)12-9(10)14/h4,6-7H,1,5H2,2-3H3,(H,11,13)(H3,10,12,14)
InChIKeyZPSNLFUEBVRLJX-UHFFFAOYSA-N
XLogP-0.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
4-bromo-N-[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 25495143
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 8008521
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
3-methyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 3947242
2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 113258390
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide (CID 60636446) is 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide is C=CCNC(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide?
The InChIKey is ZPSNLFUEBVRLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-5-11-8(13)7(6(2)3)12-9(10)14/h4,6-7H,1,5H2,2-3H3,(H,11,13)(H3,10,12,14).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide?
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide has a molecular weight of 199.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 60636446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).