N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide

C19H23NO2 — CID 90685594

IUPACN-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
SMILESCCC(=O)NCCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-19(21)20-14-13-18(16-10-5-4-6-11-16)22-17-12-8-7-9-15(17)2/h4-12,18H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyVCTQFXPNODWCIS-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.03
Rot. Bonds7

About N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide

N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide (PubChem CID 90685594) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
PubChem CID90685594
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
SMILESCCC(=O)NCCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-19(21)20-14-13-18(16-10-5-4-6-11-16)22-17-12-8-7-9-15(17)2/h4-12,18H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyVCTQFXPNODWCIS-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]carbamate
CID 169443071
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 146156685
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
1-methyl-2-[(1R)-3-nitro-1-phenylpropoxy]benzene
CID 102389343
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide?
The IUPAC name of N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide (CID 90685594) is N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide.
What is the SMILES notation for N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide?
The canonical SMILES for N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide is CCC(=O)NCCC(Oc1ccccc1C)c1ccccc1.
What is the InChIKey of N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide?
The InChIKey is VCTQFXPNODWCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-19(21)20-14-13-18(16-10-5-4-6-11-16)22-17-12-8-7-9-15(17)2/h4-12,18H,3,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide?
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide is sourced from PubChem (CID 90685594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).