N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide

C27H28N4O2 — CID 102128116

IUPACN-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide
SMILESCOc1ccc(-c2cccc(C)c2C(=O)NC(C)(C)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C27H28N4O2/c1-19-9-8-12-23(21-13-15-22(33-4)16-14-21)25(19)26(32)28-27(2,3)24-18-31(30-29-24)17-20-10-6-5-7-11-20/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKeyAMHLWFUAHNOSGD-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.98
Rot. Bonds7

About N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide

N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide (PubChem CID 102128116) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide
PubChem CID102128116
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide
SMILESCOc1ccc(-c2cccc(C)c2C(=O)NC(C)(C)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C27H28N4O2/c1-19-9-8-12-23(21-13-15-22(33-4)16-14-21)25(19)26(32)28-27(2,3)24-18-31(30-29-24)17-20-10-6-5-7-11-20/h5-16,18H,17H2,1-4H3,(H,28,32)
InChIKeyAMHLWFUAHNOSGD-UHFFFAOYSA-N
XLogP4.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-[2-(1-benzyltriazol-4-yl)propan-2-ylamino]-[2-(4-methoxyphenyl)cyclopenta-2,4-dien-1-ylidene]methanol
CID 164666498
1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol
CID 139220303
3,4-dichloro-N-[2-[1-(naphthalen-2-ylmethyl)triazol-4-yl]propan-2-yl]benzamide
CID 167374122
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-yl]acetamide
CID 167860304
2-[3-[[4-[[4-[[2-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]methyl]triazol-1-yl]methyl]phenoxy]acetic acid
CID 72722634
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
2-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
CID 134941621
tris(1-benzyltriazol-4-yl)methyl N-phosphanylcarbamate
CID 70803232
N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide
CID 99834227

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide?
The IUPAC name of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide (CID 102128116) is N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide?
The canonical SMILES for N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide is COc1ccc(-c2cccc(C)c2C(=O)NC(C)(C)c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide?
The InChIKey is AMHLWFUAHNOSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19-9-8-12-23(21-13-15-22(33-4)16-14-21)25(19)26(32)28-27(2,3)24-18-31(30-29-24)17-20-10-6-5-7-11-20/h5-16,18H,17H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide?
N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide has a molecular weight of 440.55 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-(4-methoxyphenyl)-6-methylbenzamide is sourced from PubChem (CID 102128116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).