N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide

C21H24N2O3 — CID 87028458

IUPACN-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
SMILESCc1c(NC(=O)CCC2CCCO2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15-18(22-20(24)13-12-17-9-6-14-26-17)10-5-11-19(15)23-21(25)16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVRTFQRURKOGUFE-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.15
Rot. Bonds6

About N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide

N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide (PubChem CID 87028458) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
PubChem CID87028458
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
SMILESCc1c(NC(=O)CCC2CCCO2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15-18(22-20(24)13-12-17-9-6-14-26-17)10-5-11-19(15)23-21(25)16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVRTFQRURKOGUFE-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
3-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-5-yl)propanamide
CID 65154594
5-iodo-2-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 63111350
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide (CID 87028458) is N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide is Cc1c(NC(=O)CCC2CCCO2)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide?
The InChIKey is VRTFQRURKOGUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-18(22-20(24)13-12-17-9-6-14-26-17)10-5-11-19(15)23-21(25)16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide?
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 87028458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).