N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide

C22H27N5O2 — CID 155520772

IUPACN-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)nnn2CCOC)cc1
InChIInChI=1S/C22H27N5O2/c1-4-26(5-2)19-13-11-18(12-14-19)23-22(28)21-20(17-9-7-6-8-10-17)24-25-27(21)15-16-29-3/h6-14H,4-5,15-16H2,1-3H3,(H,23,28)
InChIKeyRQIJEXMHUVKOFQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.69
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide

N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide (PubChem CID 155520772) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide
PubChem CID155520772
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)nnn2CCOC)cc1
InChIInChI=1S/C22H27N5O2/c1-4-26(5-2)19-13-11-18(12-14-19)23-22(28)21-20(17-9-7-6-8-10-17)24-25-27(21)15-16-29-3/h6-14H,4-5,15-16H2,1-3H3,(H,23,28)
InChIKeyRQIJEXMHUVKOFQ-UHFFFAOYSA-N
XLogP3.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 155551859
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
CID 113200658
3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594584
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide (CID 155520772) is N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)nnn2CCOC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide?
The InChIKey is RQIJEXMHUVKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-26(5-2)19-13-11-18(12-14-19)23-22(28)21-20(17-9-7-6-8-10-17)24-25-27(21)15-16-29-3/h6-14H,4-5,15-16H2,1-3H3,(H,23,28).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide is sourced from PubChem (CID 155520772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).