ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide

C15H23N3O — CID 142945288

IUPACethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide
SMILESC=CN(/N=C/C)c1cccc(C(=O)NCC)c1.CC
InChIInChI=1S/C13H17N3O.C2H6/c1-4-14-13(17)11-8-7-9-12(10-11)16(6-3)15-5-2;1-2/h5-10H,3-4H2,1-2H3,(H,14,17);1-2H3/b15-5+;
InChIKeySAAZMGFPCBBZTD-GBDQXREISA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds5

About ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide

ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide (PubChem CID 142945288) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide.

Molecular Properties

Compound Nameethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide
PubChem CID142945288
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Nameethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide
SMILESC=CN(/N=C/C)c1cccc(C(=O)NCC)c1.CC
InChIInChI=1S/C13H17N3O.C2H6/c1-4-14-13(17)11-8-7-9-12(10-11)16(6-3)15-5-2;1-2/h5-10H,3-4H2,1-2H3,(H,14,17);1-2H3/b15-5+;
InChIKeySAAZMGFPCBBZTD-GBDQXREISA-N
XLogP3.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
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

N-ethyl-3-hydroxybenzamide
CID 13175248
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
N-ethylbenzamide
CID 160772566
3-acetamido-N-ethylbenzamide
CID 17230670
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
[3-(ethylcarbamoyl)phenyl]boronic acid
CID 3607123
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
N-ethylbenzamide;hydrochloride
CID 57444995
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-ethyl-3-sulfamoylbenzamide
CID 43089872
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222

Frequently Asked Questions

What is the IUPAC name of ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide?
The IUPAC name of ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide (CID 142945288) is ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide.
What is the SMILES notation for ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide?
The canonical SMILES for ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide is C=CN(/N=C/C)c1cccc(C(=O)NCC)c1.CC.
What is the InChIKey of ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide?
The InChIKey is SAAZMGFPCBBZTD-GBDQXREISA-N. The full InChI is InChI=1S/C13H17N3O.C2H6/c1-4-14-13(17)11-8-7-9-12(10-11)16(6-3)15-5-2;1-2/h5-10H,3-4H2,1-2H3,(H,14,17);1-2H3/b15-5+;.
What are the key properties of ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide?
ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide is sourced from PubChem (CID 142945288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).