N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide

C21H25N5O2 — CID 53180108

IUPACN-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)nnn3CCN2CCOCC2)cc1C
InChIInChI=1S/C21H25N5O2/c1-15-3-5-18(13-16(15)2)22-21(27)17-4-6-20-19(14-17)23-24-26(20)8-7-25-9-11-28-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,22,27)
InChIKeyBAOZWWNFCZGDME-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.63
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide

N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide (PubChem CID 53180108) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
PubChem CID53180108
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)nnn3CCN2CCOCC2)cc1C
InChIInChI=1S/C21H25N5O2/c1-15-3-5-18(13-16(15)2)22-21(27)17-4-6-20-19(14-17)23-24-26(20)8-7-25-9-11-28-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,22,27)
InChIKeyBAOZWWNFCZGDME-UHFFFAOYSA-N
XLogP2.63
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
CID 53180129
N-[(2R)-1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-1-propylbenzotriazole-5-carboxamide
CID 95075615
N-[(2S)-1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-1-propylbenzotriazole-5-carboxamide
CID 95075614
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111501
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956
N-[N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-4-ethylbenzamide
CID 50820068
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide (CID 53180108) is N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)nnn3CCN2CCOCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
The InChIKey is BAOZWWNFCZGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-3-5-18(13-16(15)2)22-21(27)17-4-6-20-19(14-17)23-24-26(20)8-7-25-9-11-28-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,22,27).
What are the key properties of N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 53180108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).