4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide

C21H24N2O4 — CID 126445963

IUPAC4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide
SMILESCc1ccc(OCC(N)=O)c(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-14-2-7-19(27-13-20(22)24)18(10-14)16-3-5-17(6-4-16)21(25)23-11-15-8-9-26-12-15/h2-7,10,15H,8-9,11-13H2,1H3,(H2,22,24)(H,23,25)/t15-/m1/s1
InChIKeySKXNBMZOIWFFDV-OAHLLOKOSA-N
MW368.43 g/mol
LogP2.29
Rot. Bonds7

About 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide

4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide (PubChem CID 126445963) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide
PubChem CID126445963
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide
SMILESCc1ccc(OCC(N)=O)c(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-14-2-7-19(27-13-20(22)24)18(10-14)16-3-5-17(6-4-16)21(25)23-11-15-8-9-26-12-15/h2-7,10,15H,8-9,11-13H2,1H3,(H2,22,24)(H,23,25)/t15-/m1/s1
InChIKeySKXNBMZOIWFFDV-OAHLLOKOSA-N
XLogP2.29
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126444759
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
4-(2-methylsulfanylphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126439334
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide
CID 118046239
4-(2-aminopyrimidin-5-yl)-N-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]benzamide
CID 126439238
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide (CID 126445963) is 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide is Cc1ccc(OCC(N)=O)c(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)c1.
What is the InChIKey of 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
The InChIKey is SKXNBMZOIWFFDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-2-7-19(27-13-20(22)24)18(10-14)16-3-5-17(6-4-16)21(25)23-11-15-8-9-26-12-15/h2-7,10,15H,8-9,11-13H2,1H3,(H2,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 126445963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).