2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide

C12H19N3O2 — CID 70904920

IUPAC2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(NC(=O)CN)C1=CC=CCC1
InChIInChI=1S/C12H19N3O2/c1-15(2)12(17)11(14-10(16)8-13)9-6-4-3-5-7-9/h3-4,6,11H,5,7-8,13H2,1-2H3,(H,14,16)
InChIKeyUTZGSCDGHPBBOL-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.21
Rot. Bonds4

About 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide

2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide (PubChem CID 70904920) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide
PubChem CID70904920
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(NC(=O)CN)C1=CC=CCC1
InChIInChI=1S/C12H19N3O2/c1-15(2)12(17)11(14-10(16)8-13)9-6-4-3-5-7-9/h3-4,6,11H,5,7-8,13H2,1-2H3,(H,14,16)
InChIKeyUTZGSCDGHPBBOL-UHFFFAOYSA-N
XLogP-0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Diamino-1-(3,6-dihydro-2H-pyridin-1-yl)-hexan-1-one
CID 44364231
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 164633651
(2S)-2-amino-2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-formylacetamide
CID 89038892
N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 91413361
(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide
CID 142156936
6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide
CID 143955319
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]pyrrolidine-2-carboxamide
CID 144912267
(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide
CID 145077821
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorocyclohexa-1,5-dien-1-yl)propanamide
CID 145077823
(6Z)-9-fluoro-5-methylidene-N-[2-[methyl(propyl)amino]ethyl]undeca-6,10-dienamide
CID 163930461

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide (CID 70904920) is 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide is CN(C)C(=O)C(NC(=O)CN)C1=CC=CCC1.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide?
The InChIKey is UTZGSCDGHPBBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)12(17)11(14-10(16)8-13)9-6-4-3-5-7-9/h3-4,6,11H,5,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide?
2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide has a molecular weight of 237.30 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-2-cyclohexa-1,3-dien-1-yl-N,N-dimethylacetamide is sourced from PubChem (CID 70904920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).