2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide

C21H26N2O3 — CID 17189216

IUPAC2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-5-19(26-18-11-6-8-15(4)12-18)21(25)23-17-10-7-9-16(13-17)22-20(24)14(2)3/h6-14,19H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBBHNOKQRJWJINK-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.39
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide

2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide (PubChem CID 17189216) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
PubChem CID17189216
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-5-19(26-18-11-6-8-15(4)12-18)21(25)23-17-10-7-9-16(13-17)22-20(24)14(2)3/h6-14,19H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBBHNOKQRJWJINK-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877810
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide (CID 17189216) is 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The InChIKey is BBHNOKQRJWJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-19(26-18-11-6-8-15(4)12-18)21(25)23-17-10-7-9-16(13-17)22-20(24)14(2)3/h6-14,19H,5H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide?
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide has a molecular weight of 354.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 17189216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).