3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide

C11H14N4O2 — CID 168533468

IUPAC3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C=NNC(N)=O)c1
InChIInChI=1S/C11H14N4O2/c1-15(2)10(16)9-5-3-4-8(6-9)7-13-14-11(12)17/h3-7H,1-2H3,(H3,12,14,17)
InChIKeyJMWYUNRZVDZUKN-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.39
Rot. Bonds3

About 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide

3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide (PubChem CID 168533468) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
PubChem CID168533468
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C=NNC(N)=O)c1
InChIInChI=1S/C11H14N4O2/c1-15(2)10(16)9-5-3-4-8(6-9)7-13-14-11(12)17/h3-7H,1-2H3,(H3,12,14,17)
InChIKeyJMWYUNRZVDZUKN-UHFFFAOYSA-N
XLogP0.39
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea
CID 168531880
[(E)-benzylideneamino]urea
CID 6861419
3-[(carbamothioylhydrazinylidene)methyl]benzoic acid
CID 71395516
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
3-[[[(E)-N'-[(3-carboxyphenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]benzoic acid
CID 118918902
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 127042960
[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
CID 168532138
[[3-(4-tert-butylphenyl)phenyl]methylideneamino]urea
CID 168532530
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
CID 122601010
[[3-(cyanomethyl)phenyl]methylideneamino]urea
CID 168534094
[(3-propylsulfanylphenyl)methylideneamino]urea
CID 168532022
6-[(E)-(carbamoylhydrazinylidene)methyl]-5-hydroxy-N,N,1-trimethylpyridin-1-ium-3-carboxamide
CID 135727015

Frequently Asked Questions

What is the IUPAC name of 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide (CID 168533468) is 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(C=NNC(N)=O)c1.
What is the InChIKey of 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide?
The InChIKey is JMWYUNRZVDZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15(2)10(16)9-5-3-4-8(6-9)7-13-14-11(12)17/h3-7H,1-2H3,(H3,12,14,17).
What are the key properties of 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide?
3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide has a molecular weight of 234.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 168533468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).