2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate

C18H22N4O3 — CID 163526628

IUPAC2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate
SMILESCCC(=O)OCCN(C)c1ccc(NNc2ccc(N=O)cc2)cc1
InChIInChI=1S/C18H22N4O3/c1-3-18(23)25-13-12-22(2)17-10-8-15(9-11-17)20-19-14-4-6-16(21-24)7-5-14/h4-11,19-20H,3,12-13H2,1-2H3
InChIKeyKSRMILLCZPQZJF-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.91
Rot. Bonds9

About 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate

2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate (PubChem CID 163526628) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate.

Molecular Properties

Compound Name2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate
PubChem CID163526628
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate
SMILESCCC(=O)OCCN(C)c1ccc(NNc2ccc(N=O)cc2)cc1
InChIInChI=1S/C18H22N4O3/c1-3-18(23)25-13-12-22(2)17-10-8-15(9-11-17)20-19-14-4-6-16(21-24)7-5-14/h4-11,19-20H,3,12-13H2,1-2H3
InChIKeyKSRMILLCZPQZJF-UHFFFAOYSA-N
XLogP3.91
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[4-[[4-(9-acetyloxynonoxy)phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl propanoate
CID 164806359
1-N,4-N-dimethyl-4-N-(4-nitrosophenyl)benzene-1,4-diamine
CID 174952140
2-[N-methyl-4-[(E)-2-(4-nitrosophenyl)ethenyl]anilino]ethanol
CID 89185044
2-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2-methylpropanoate
CID 142226495
2-[N-methyl-4-(pyridin-4-yldiazenyl)anilino]ethyl 2-methylprop-2-enoate
CID 101258494
2-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2,2-dimethylbutanoate
CID 58814555
2-[N-ethyl-4-[(4-nitrosophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 87412965
2-[4-[[4-[(4-ethynylphenyl)diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2,2-dimethylbutanoate
CID 58322524
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847
2-[4-[(2Z)-2-[1-cyano-2-(ethoxycarbonylamino)-2-oxoethylidene]hydrazinyl]-N-methylanilino]ethyl formate;ethane
CID 144841851
2-(N-methylanilino)ethyl 4-propanoylbenzoate
CID 59444962
9-[[6-[[2-methyl-4-[[4-[methyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-3-pyridinyl]oxy]nonyl propanoate
CID 156628746

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate?
The IUPAC name of 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate (CID 163526628) is 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate.
What is the SMILES notation for 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate?
The canonical SMILES for 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate is CCC(=O)OCCN(C)c1ccc(NNc2ccc(N=O)cc2)cc1.
What is the InChIKey of 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate?
The InChIKey is KSRMILLCZPQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-18(23)25-13-12-22(2)17-10-8-15(9-11-17)20-19-14-4-6-16(21-24)7-5-14/h4-11,19-20H,3,12-13H2,1-2H3.
What are the key properties of 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate?
2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate has a molecular weight of 342.40 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-4-[2-(4-nitrosophenyl)hydrazinyl]anilino]ethyl propanoate is sourced from PubChem (CID 163526628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).