N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide

C22H29N3O2 — CID 126427586

IUPACN-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCCc1cnc(C)nc1-c1ccc(C(=O)N(CC)C[C@@H]2CCCCO2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-17-14-23-16(3)24-21(17)18-9-11-19(12-10-18)22(26)25(5-2)15-20-8-6-7-13-27-20/h9-12,14,20H,4-8,13,15H2,1-3H3/t20-/m0/s1
InChIKeySMJRPMYLJZNSCI-FQEVSTJZSA-N
MW367.49 g/mol
LogP4.05
Rot. Bonds6

About N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide

N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide (PubChem CID 126427586) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
PubChem CID126427586
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCCc1cnc(C)nc1-c1ccc(C(=O)N(CC)C[C@@H]2CCCCO2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-17-14-23-16(3)24-21(17)18-9-11-19(12-10-18)22(26)25(5-2)15-20-8-6-7-13-27-20/h9-12,14,20H,4-8,13,15H2,1-3H3/t20-/m0/s1
InChIKeySMJRPMYLJZNSCI-FQEVSTJZSA-N
XLogP4.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
N-ethyl-5-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 131931546
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 118771065
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 119060180
N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The IUPAC name of N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide (CID 126427586) is N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide is CCc1cnc(C)nc1-c1ccc(C(=O)N(CC)C[C@@H]2CCCCO2)cc1.
What is the InChIKey of N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The InChIKey is SMJRPMYLJZNSCI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-17-14-23-16(3)24-21(17)18-9-11-19(12-10-18)22(26)25(5-2)15-20-8-6-7-13-27-20/h9-12,14,20H,4-8,13,15H2,1-3H3/t20-/m0/s1.
What are the key properties of N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide?
N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 126427586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).