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

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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).