1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide

C19H22N4O2 — CID 26980273

IUPAC1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)CCOc3cccc(C)c3)ccc21
InChIInChI=1S/C19H22N4O2/c1-4-23-18-9-8-15(13-17(18)20-21-23)19(24)22(3)10-11-25-16-7-5-6-14(2)12-16/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyDCLPIKOGEBLPKC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.91
Rot. Bonds6

About 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide

1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide (PubChem CID 26980273) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide
PubChem CID26980273
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)CCOc3cccc(C)c3)ccc21
InChIInChI=1S/C19H22N4O2/c1-4-23-18-9-8-15(13-17(18)20-21-23)19(24)22(3)10-11-25-16-7-5-6-14(2)12-16/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyDCLPIKOGEBLPKC-UHFFFAOYSA-N
XLogP2.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
CID 119181815
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)-propylamino]acetate
CID 78902105
1-ethyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 32760587
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 27447023
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate
CID 7805787

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide (CID 26980273) is 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)N(C)CCOc3cccc(C)c3)ccc21.
What is the InChIKey of 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide?
The InChIKey is DCLPIKOGEBLPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-23-18-9-8-15(13-17(18)20-21-23)19(24)22(3)10-11-25-16-7-5-6-14(2)12-16/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide?
1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 26980273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).