N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide

C20H22N4O2 — CID 166370425

IUPACN-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1cccc(CN(C)CCNC(=O)c2ccc(-c3ncon3)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-15-4-3-5-16(12-15)13-24(2)11-10-21-20(25)18-8-6-17(7-9-18)19-22-14-26-23-19/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyMIQOUNJJXKRVFM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide

N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 166370425) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID166370425
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1cccc(CN(C)CCNC(=O)c2ccc(-c3ncon3)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-15-4-3-5-16(12-15)13-24(2)11-10-21-20(25)18-8-6-17(7-9-18)19-22-14-26-23-19/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyMIQOUNJJXKRVFM-UHFFFAOYSA-N
XLogP2.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
CID 113054239
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-phenylbenzamide
CID 126175616
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 166370425) is N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide is Cc1cccc(CN(C)CCNC(=O)c2ccc(-c3ncon3)cc2)c1.
What is the InChIKey of N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is MIQOUNJJXKRVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-4-3-5-16(12-15)13-24(2)11-10-21-20(25)18-8-6-17(7-9-18)19-22-14-26-23-19/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 166370425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).