N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide

C20H27N5O2 — CID 75584001

IUPACN-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2NNNC2Nc2ccc(CC)cc2)c1
InChIInChI=1S/C20H27N5O2/c1-3-14-8-10-16(11-9-14)22-19-18(23-25-24-19)20(26)21-13-15-6-5-7-17(12-15)27-4-2/h5-12,18-19,22-25H,3-4,13H2,1-2H3,(H,21,26)
InChIKeyGAQCFXKWCFEKPN-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.68
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide

N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide (PubChem CID 75584001) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
PubChem CID75584001
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2NNNC2Nc2ccc(CC)cc2)c1
InChIInChI=1S/C20H27N5O2/c1-3-14-8-10-16(11-9-14)22-19-18(23-25-24-19)20(26)21-13-15-6-5-7-17(12-15)27-4-2/h5-12,18-19,22-25H,3-4,13H2,1-2H3,(H,21,26)
InChIKeyGAQCFXKWCFEKPN-UHFFFAOYSA-N
XLogP1.68
TPSA86.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
CID 75271855
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(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
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5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
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(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 55245625
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide (CID 75584001) is N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide is CCOc1cccc(CNC(=O)C2NNNC2Nc2ccc(CC)cc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
The InChIKey is GAQCFXKWCFEKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-14-8-10-16(11-9-14)22-19-18(23-25-24-19)20(26)21-13-15-6-5-7-17(12-15)27-4-2/h5-12,18-19,22-25H,3-4,13H2,1-2H3,(H,21,26).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.68, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide is sourced from PubChem (CID 75584001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).