N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide

C25H26N4O3 — CID 41166837

IUPACN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N[C@H](Cc3ccc(OC)cc3)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C25H26N4O3/c1-4-29-24-14-9-19(16-23(24)27-28-29)25(30)26-22(18-7-12-21(32-3)13-8-18)15-17-5-10-20(31-2)11-6-17/h5-14,16,22H,4,15H2,1-3H3,(H,26,30)/t22-/m1/s1
InChIKeySVTJPAJMXZXBBM-JOCHJYFZSA-N
MW430.51 g/mol
LogP4.18
Rot. Bonds8

About N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide

N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 41166837) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID41166837
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N[C@H](Cc3ccc(OC)cc3)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C25H26N4O3/c1-4-29-24-14-9-19(16-23(24)27-28-29)25(30)26-22(18-7-12-21(32-3)13-8-18)15-17-5-10-20(31-2)11-6-17/h5-14,16,22H,4,15H2,1-3H3,(H,26,30)/t22-/m1/s1
InChIKeySVTJPAJMXZXBBM-JOCHJYFZSA-N
XLogP4.18
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1,2-bis(4-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

1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7806112
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-iodobenzamide
CID 56728750
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
CID 17427457
1-ethyl-N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]benzotriazole-5-carboxamide
CID 26192842
2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate
CID 7805787
(4-ethylphenyl) 1-ethylbenzotriazole-5-carboxylate
CID 18082407
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
(2R)-2-[(1-ethylbenzotriazole-5-carbonyl)amino]pentanoic acid
CID 107563435
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide (CID 41166837) is N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)N[C@H](Cc3ccc(OC)cc3)c3ccc(OC)cc3)ccc21.
What is the InChIKey of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is SVTJPAJMXZXBBM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-29-24-14-9-19(16-23(24)27-28-29)25(30)26-22(18-7-12-21(32-3)13-8-18)15-17-5-10-20(31-2)11-6-17/h5-14,16,22H,4,15H2,1-3H3,(H,26,30)/t22-/m1/s1.
What are the key properties of N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide?
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 41166837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).