N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide

C20H24N2O3 — CID 54780693

IUPACN-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide
SMILESCNC(=O)CCc1ccc(NC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-14-6-4-5-7-18(14)25-15(2)20(24)22-17-11-8-16(9-12-17)10-13-19(23)21-3/h4-9,11-12,15H,10,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMDHRFKFIGTUXSJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.08
Rot. Bonds7

About N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide

N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide (PubChem CID 54780693) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide
PubChem CID54780693
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide
SMILESCNC(=O)CCc1ccc(NC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-14-6-4-5-7-18(14)25-15(2)20(24)22-17-11-8-16(9-12-17)10-13-19(23)21-3/h4-9,11-12,15H,10,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMDHRFKFIGTUXSJ-UHFFFAOYSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
CID 54780661
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4943540
2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166532
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463
2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233586
N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 54780767

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide (CID 54780693) is N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide is CNC(=O)CCc1ccc(NC(=O)C(C)Oc2ccccc2C)cc1.
What is the InChIKey of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is MDHRFKFIGTUXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-6-4-5-7-18(14)25-15(2)20(24)22-17-11-8-16(9-12-17)10-13-19(23)21-3/h4-9,11-12,15H,10,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide?
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 54780693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).