2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide

C20H26N2O3 — CID 132652371

IUPAC2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
SMILESCOc1cccc(OC(C)C(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-16(25-19-12-7-11-18(15-19)24-3)20(23)21-13-8-14-22(2)17-9-5-4-6-10-17/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,21,23)
InChIKeyXJEASHSMUNXIDQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds9

About 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide

2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide (PubChem CID 132652371) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
PubChem CID132652371
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
SMILESCOc1cccc(OC(C)C(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-16(25-19-12-7-11-18(15-19)24-3)20(23)21-13-8-14-22(2)17-9-5-4-6-10-17/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,21,23)
InChIKeyXJEASHSMUNXIDQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 43003068
N-[3-(N-methylanilino)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200305
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
CID 132670026
N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide
CID 132652146
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide (CID 132652371) is 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide is COc1cccc(OC(C)C(=O)NCCCN(C)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
The InChIKey is XJEASHSMUNXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16(25-19-12-7-11-18(15-19)24-3)20(23)21-13-8-14-22(2)17-9-5-4-6-10-17/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide is sourced from PubChem (CID 132652371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).