2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide

C10H14N4O2 — CID 4991836

IUPAC2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN=C(N)N
InChIInChI=1S/C10H14N4O2/c1-16-8-5-3-2-4-7(8)14-9(15)6-13-10(11)12/h2-5H,6H2,1H3,(H,14,15)(H4,11,12,13)
InChIKeyVYLMWLLPKOLTOK-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.09
Rot. Bonds4

About 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide

2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide (PubChem CID 4991836) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
PubChem CID4991836
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN=C(N)N
InChIInChI=1S/C10H14N4O2/c1-16-8-5-3-2-4-7(8)14-9(15)6-13-10(11)12/h2-5H,6H2,1H3,(H,14,15)(H4,11,12,13)
InChIKeyVYLMWLLPKOLTOK-UHFFFAOYSA-N
XLogP-0.09
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
ethane;(2-methoxyphenyl)urea
CID 143063924
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(2-methoxyphenyl)pent-4-ynamide
CID 82363143
2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
CID 60864309
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
2-(2-methoxyanilino)-2-sulfanylideneacetamide
CID 15526121
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide (CID 4991836) is 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide?
The InChIKey is VYLMWLLPKOLTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-8-5-3-2-4-7(8)14-9(15)6-13-10(11)12/h2-5H,6H2,1H3,(H,14,15)(H4,11,12,13).
What are the key properties of 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide?
2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide has a molecular weight of 222.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 4991836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).