2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide

C14H21N5O2 — CID 171343437

IUPAC2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)C/N=C(\N)NC(=O)NC
InChIInChI=1S/C14H21N5O2/c1-4-10-7-5-6-9(2)12(10)18-11(20)8-17-13(15)19-14(21)16-3/h5-7H,4,8H2,1-3H3,(H,18,20)(H4,15,16,17,19,21)
InChIKeyHSBVLSAPCLSPNK-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.74
Rot. Bonds4

About 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 171343437) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID171343437
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)C/N=C(\N)NC(=O)NC
InChIInChI=1S/C14H21N5O2/c1-4-10-7-5-6-9(2)12(10)18-11(20)8-17-13(15)19-14(21)16-3/h5-7H,4,8H2,1-3H3,(H,18,20)(H4,15,16,17,19,21)
InChIKeyHSBVLSAPCLSPNK-UHFFFAOYSA-N
XLogP0.74
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034562
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 171343437) is 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)C/N=C(\N)NC(=O)NC.
What is the InChIKey of 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is HSBVLSAPCLSPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-10-7-5-6-9(2)12(10)18-11(20)8-17-13(15)19-14(21)16-3/h5-7H,4,8H2,1-3H3,(H,18,20)(H4,15,16,17,19,21).
What are the key properties of 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 291.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 171343437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).