1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide

C20H25N5O — CID 26894071

IUPAC1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
SMILESCCN(c1ccc(NC(=O)c2ccc3c(c2)nnn3CC)cc1)C(C)C
InChIInChI=1S/C20H25N5O/c1-5-24(14(3)4)17-10-8-16(9-11-17)21-20(26)15-7-12-19-18(13-15)22-23-25(19)6-2/h7-14H,5-6H2,1-4H3,(H,21,26)
InChIKeySEHWZXNFWFREJF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.94
Rot. Bonds6

About 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide (PubChem CID 26894071) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
PubChem CID26894071
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
SMILESCCN(c1ccc(NC(=O)c2ccc3c(c2)nnn3CC)cc1)C(C)C
InChIInChI=1S/C20H25N5O/c1-5-24(14(3)4)17-10-8-16(9-11-17)21-20(26)15-7-12-19-18(13-15)22-23-25(19)6-2/h7-14H,5-6H2,1-4H3,(H,21,26)
InChIKeySEHWZXNFWFREJF-UHFFFAOYSA-N
XLogP3.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 26499294
1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
CID 31886468
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
CID 135877247
1-ethyl-N-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzotriazole-5-carboxamide
CID 46296446
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
N-(4-ethylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051598

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide (CID 26894071) is 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide is CCN(c1ccc(NC(=O)c2ccc3c(c2)nnn3CC)cc1)C(C)C.
What is the InChIKey of 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide?
The InChIKey is SEHWZXNFWFREJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-5-24(14(3)4)17-10-8-16(9-11-17)21-20(26)15-7-12-19-18(13-15)22-23-25(19)6-2/h7-14H,5-6H2,1-4H3,(H,21,26).
What are the key properties of 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 26894071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).