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

C20H27N5O3 — CID 75584005

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
SMILESCCc1ccc(NC2NNNC2C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H27N5O3/c1-4-13-5-8-15(9-6-13)22-19-18(23-25-24-19)20(26)21-12-14-7-10-16(27-2)17(11-14)28-3/h5-11,18-19,22-25H,4,12H2,1-3H3,(H,21,26)
InChIKeyNBPBPHHLGODKDX-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.30
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide (PubChem CID 75584005) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
PubChem CID75584005
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
SMILESCCc1ccc(NC2NNNC2C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H27N5O3/c1-4-13-5-8-15(9-6-13)22-19-18(23-25-24-19)20(26)21-12-14-7-10-16(27-2)17(11-14)28-3/h5-11,18-19,22-25H,4,12H2,1-3H3,(H,21,26)
InChIKeyNBPBPHHLGODKDX-UHFFFAOYSA-N
XLogP1.30
TPSA95.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]triazolidine-4-carboxamide
CID 75584040
N-[(3,4-dimethoxyphenyl)methyl]-5-(3,4-dimethylanilino)triazolidine-4-carboxamide
CID 75584116
N-[(3-ethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
CID 75584001
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
CID 50928973
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 55416557
(3S,5R)-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-(4-fluorophenyl)piperidine-3,5-dicarboxamide
CID 56855768
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138589

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide (CID 75584005) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide is CCc1ccc(NC2NNNC2C(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
The InChIKey is NBPBPHHLGODKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-13-5-8-15(9-6-13)22-19-18(23-25-24-19)20(26)21-12-14-7-10-16(27-2)17(11-14)28-3/h5-11,18-19,22-25H,4,12H2,1-3H3,(H,21,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.30, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide is sourced from PubChem (CID 75584005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).