1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea

C11H16N4O2 — CID 20543767

IUPAC1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
SMILESCCc1cc(OC)ccc1NC(=O)N=C(N)N
InChIInChI=1S/C11H16N4O2/c1-3-7-6-8(17-2)4-5-9(7)14-11(16)15-10(12)13/h4-6H,3H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyJXBKDBNZYGYVFO-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.06
Rot. Bonds3

About 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea

1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea (PubChem CID 20543767) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
PubChem CID20543767
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
SMILESCCc1cc(OC)ccc1NC(=O)N=C(N)N
InChIInChI=1S/C11H16N4O2/c1-3-7-6-8(17-2)4-5-9(7)14-11(16)15-10(12)13/h4-6H,3H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyJXBKDBNZYGYVFO-UHFFFAOYSA-N
XLogP1.06
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
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

2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 141271018
N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168602319
N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide
CID 105497919
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
2-ethyl-4-methoxybenzoate
CID 23362607

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea?
The IUPAC name of 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea (CID 20543767) is 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea.
What is the SMILES notation for 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea?
The canonical SMILES for 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea is CCc1cc(OC)ccc1NC(=O)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea?
The InChIKey is JXBKDBNZYGYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-7-6-8(17-2)4-5-9(7)14-11(16)15-10(12)13/h4-6H,3H2,1-2H3,(H5,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea?
1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea has a molecular weight of 236.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea is sourced from PubChem (CID 20543767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).