N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide

C21H30N4O2 — CID 72926752

IUPACN-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)N(CCN(C)C)CC3CCCO3)c2)n1
InChIInChI=1S/C21H30N4O2/c1-16-13-17(2)25(22-16)19-8-5-7-18(14-19)21(26)24(11-10-23(3)4)15-20-9-6-12-27-20/h5,7-8,13-14,20H,6,9-12,15H2,1-4H3
InChIKeyNDSQQTHHKRDOBM-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide

N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 72926752) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID72926752
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)N(CCN(C)C)CC3CCCO3)c2)n1
InChIInChI=1S/C21H30N4O2/c1-16-13-17(2)25(22-16)19-8-5-7-18(14-19)21(26)24(11-10-23(3)4)15-20-9-6-12-27-20/h5,7-8,13-14,20H,6,9-12,15H2,1-4H3
InChIKeyNDSQQTHHKRDOBM-UHFFFAOYSA-N
XLogP2.67
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
N-[2-(dimethylamino)ethyl]-5,7-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129433974
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
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-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74236420
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597649

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 72926752) is N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(C)n(-c2cccc(C(=O)N(CCN(C)C)CC3CCCO3)c2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is NDSQQTHHKRDOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-13-17(2)25(22-16)19-8-5-7-18(14-19)21(26)24(11-10-23(3)4)15-20-9-6-12-27-20/h5,7-8,13-14,20H,6,9-12,15H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 370.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 72926752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).