N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide

C18H20N2O3 — CID 28642699

IUPACN-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)23-16-7-5-4-6-15(16)18(22)20-14-10-8-13(9-11-14)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZFSCSZOMIHDSIR-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.09
Rot. Bonds5

About N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide

N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 28642699) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
PubChem CID28642699
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)23-16-7-5-4-6-15(16)18(22)20-14-10-8-13(9-11-14)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZFSCSZOMIHDSIR-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 60571431
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605
2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980882
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (CID 28642699) is N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is CNC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is ZFSCSZOMIHDSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)23-16-7-5-4-6-15(16)18(22)20-14-10-8-13(9-11-14)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 28642699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).