N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide

C23H22N2O3 — CID 39278128

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17(26)25(2)16-19-8-6-7-11-22(19)24-23(27)18-12-14-21(15-13-18)28-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyUKTCYAOQYZRUKJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.71
Rot. Bonds6

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide (PubChem CID 39278128) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide
PubChem CID39278128
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17(26)25(2)16-19-8-6-7-11-22(19)24-23(27)18-12-14-21(15-13-18)28-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyUKTCYAOQYZRUKJ-UHFFFAOYSA-N
XLogP4.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39277380
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55778335
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55614333
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-6-methylpyridine-2-carboxamide
CID 39277115
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38323896
N-[2-(1-hydroxyethyl)phenyl]-4-phenoxybenzamide
CID 110885288
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[2-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 113093757
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide (CID 39278128) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide is CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide?
The InChIKey is UKTCYAOQYZRUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17(26)25(2)16-19-8-6-7-11-22(19)24-23(27)18-12-14-21(15-13-18)28-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide is sourced from PubChem (CID 39278128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).