N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide

C20H25N5O2 — CID 4802476

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(c3ccccc3OC)N(C)C)ccc21
InChIInChI=1S/C20H25N5O2/c1-5-25-17-11-10-14(12-16(17)22-23-25)20(26)21-13-18(24(2)3)15-8-6-7-9-19(15)27-4/h6-12,18H,5,13H2,1-4H3,(H,21,26)
InChIKeyQCPUBLUBEZBVQE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 4802476) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID4802476
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(c3ccccc3OC)N(C)C)ccc21
InChIInChI=1S/C20H25N5O2/c1-5-25-17-11-10-14(12-16(17)22-23-25)20(26)21-13-18(24(2)3)15-8-6-7-9-19(15)27-4/h6-12,18H,5,13H2,1-4H3,(H,21,26)
InChIKeyQCPUBLUBEZBVQE-UHFFFAOYSA-N
XLogP2.49
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-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

Alizapride
CID 135413504
Alizapride hydrochloride
CID 135497066
6-Methoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-1H-benzotriazole-5-carboxamide
CID 43008
Vergentan
CID 6410734
N-(2-methoxyphenyl)-1-methyl-1H-benzotriazole-5-carboxamide
CID 1088600
Propan-2-yl 4-[(1-ethylbenzotriazole-5-carbonyl)amino]benzoate
CID 9100473
1-[(2-methoxyphenyl)methyl]-N-[(1R)-1-phenylpropyl]-1H-1,3-benzodiazole-5-carboxamide
CID 44132012
3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)-1-(4-methoxy-phenyl)-propenone
CID 5766646
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[c][1,2,5]oxadiazole-5-carboxamide
CID 11618408
1-Cyclopentyl-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024634
Ethyl 3-(1-ethyl-1H-1,2,3-benzotriazole-5-amido)benzoate
CID 16024913
2,3-diethyl-N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 16033597

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide (CID 4802476) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCC(c3ccccc3OC)N(C)C)ccc21.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is QCPUBLUBEZBVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-5-25-17-11-10-14(12-16(17)22-23-25)20(26)21-13-18(24(2)3)15-8-6-7-9-19(15)27-4/h6-12,18H,5,13H2,1-4H3,(H,21,26).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 4802476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).