2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide

C13H15N3O — CID 176529425

IUPAC2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide
SMILESC=C=C(Cc1ccccc1)N/C(=N/C)C(N)=O
InChIInChI=1S/C13H15N3O/c1-3-11(16-13(15-2)12(14)17)9-10-7-5-4-6-8-10/h4-8H,1,9H2,2H3,(H2,14,17)(H,15,16)
InChIKeyYJRVKJLMUXCHKL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.00
Rot. Bonds3

About 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide

2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide (PubChem CID 176529425) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide.

Molecular Properties

Compound Name2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide
PubChem CID176529425
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide
SMILESC=C=C(Cc1ccccc1)N/C(=N/C)C(N)=O
InChIInChI=1S/C13H15N3O/c1-3-11(16-13(15-2)12(14)17)9-10-7-5-4-6-8-10/h4-8H,1,9H2,2H3,(H2,14,17)(H,15,16)
InChIKeyYJRVKJLMUXCHKL-UHFFFAOYSA-N
XLogP1.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(8-chloro-2-oxo-1,3,4,5,7,8-hexahydro-1-benzazepin-3-yl)-2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide
CID 176518442
3-phenyl-2-sulfanylidenepropanamide
CID 22372575
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968
2-benzylbuta-2,3-dien-1-amine
CID 12937829
2-methylimino-1,3-diphenylpropan-1-one
CID 57257488
2,3-dimethyl-4-phenylbut-2-enamide
CID 151107592
N-amino-N'-methyl-2-phenylethanimidamide
CID 15751724
2-benzylbuta-2,3-dien-1-amine;hydrochloride
CID 88786997
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714
2-methoxyimino-3-phenylpropanamide
CID 139885002

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide?
The IUPAC name of 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide (CID 176529425) is 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide.
What is the SMILES notation for 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide?
The canonical SMILES for 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide is C=C=C(Cc1ccccc1)N/C(=N/C)C(N)=O.
What is the InChIKey of 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide?
The InChIKey is YJRVKJLMUXCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-11(16-13(15-2)12(14)17)9-10-7-5-4-6-8-10/h4-8H,1,9H2,2H3,(H2,14,17)(H,15,16).
What are the key properties of 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide?
2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide is sourced from PubChem (CID 176529425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).