N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

C21H29N5O2 — CID 118792637

IUPACN-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)c1n[nH]c(-c2cccc(C(=O)N(CC3CCC3)CC3CCCO3)c2)n1
InChIInChI=1S/C21H29N5O2/c1-25(2)21-22-19(23-24-21)16-8-4-9-17(12-16)20(27)26(13-15-6-3-7-15)14-18-10-5-11-28-18/h4,8-9,12,15,18H,3,5-7,10-11,13-14H2,1-2H3,(H,22,23,24)
InChIKeyRPHLKMLKBIDLBQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.96
Rot. Bonds7

About N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 118792637) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID118792637
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)c1n[nH]c(-c2cccc(C(=O)N(CC3CCC3)CC3CCCO3)c2)n1
InChIInChI=1S/C21H29N5O2/c1-25(2)21-22-19(23-24-21)16-8-4-9-17(12-16)20(27)26(13-15-6-3-7-15)14-18-10-5-11-28-18/h4,8-9,12,15,18H,3,5-7,10-11,13-14H2,1-2H3,(H,22,23,24)
InChIKeyRPHLKMLKBIDLBQ-UHFFFAOYSA-N
XLogP2.96
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126438198
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide
CID 126450263
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126436261
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 122565335

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 118792637) is N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is CN(C)c1n[nH]c(-c2cccc(C(=O)N(CC3CCC3)CC3CCCO3)c2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RPHLKMLKBIDLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-25(2)21-22-19(23-24-21)16-8-4-9-17(12-16)20(27)26(13-15-6-3-7-15)14-18-10-5-11-28-18/h4,8-9,12,15,18H,3,5-7,10-11,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 383.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 118792637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).