N-(1,2-diaminoethylidene)-4-methoxybenzamide

C10H13N3O2 — CID 145143005

IUPACN-(1,2-diaminoethylidene)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=C(/N)CN)cc1
InChIInChI=1S/C10H13N3O2/c1-15-8-4-2-7(3-5-8)10(14)13-9(12)6-11/h2-5H,6,11H2,1H3,(H2,12,13,14)
InChIKeyIDYFMCUGLSNONZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.15
Rot. Bonds3

About N-(1,2-diaminoethylidene)-4-methoxybenzamide

N-(1,2-diaminoethylidene)-4-methoxybenzamide (PubChem CID 145143005) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(1,2-diaminoethylidene)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,2-diaminoethylidene)-4-methoxybenzamide
PubChem CID145143005
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(1,2-diaminoethylidene)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=C(/N)CN)cc1
InChIInChI=1S/C10H13N3O2/c1-15-8-4-2-7(3-5-8)10(14)13-9(12)6-11/h2-5H,6,11H2,1H3,(H2,12,13,14)
InChIKeyIDYFMCUGLSNONZ-UHFFFAOYSA-N
XLogP0.15
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
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

N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide
CID 12571173
2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate
CID 7271101
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
CID 82480855
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
2-[[amino-(4-methoxyphenyl)methylidene]carbamoylamino]acetyl chloride
CID 54305473

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diaminoethylidene)-4-methoxybenzamide?
The IUPAC name of N-(1,2-diaminoethylidene)-4-methoxybenzamide (CID 145143005) is N-(1,2-diaminoethylidene)-4-methoxybenzamide.
What is the SMILES notation for N-(1,2-diaminoethylidene)-4-methoxybenzamide?
The canonical SMILES for N-(1,2-diaminoethylidene)-4-methoxybenzamide is COc1ccc(C(=O)/N=C(/N)CN)cc1.
What is the InChIKey of N-(1,2-diaminoethylidene)-4-methoxybenzamide?
The InChIKey is IDYFMCUGLSNONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-8-4-2-7(3-5-8)10(14)13-9(12)6-11/h2-5H,6,11H2,1H3,(H2,12,13,14).
What are the key properties of N-(1,2-diaminoethylidene)-4-methoxybenzamide?
N-(1,2-diaminoethylidene)-4-methoxybenzamide has a molecular weight of 207.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diaminoethylidene)-4-methoxybenzamide is sourced from PubChem (CID 145143005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).