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

C19H23ClN2O2 — CID 43003068

IUPAC2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C19H23ClN2O2/c1-15(24-18-11-6-8-16(20)14-18)19(23)21-12-7-13-22(2)17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyWPGZCTOSFKDXFW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.75
Rot. Bonds8

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

2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide (PubChem CID 43003068) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
PubChem CID43003068
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C19H23ClN2O2/c1-15(24-18-11-6-8-16(20)14-18)19(23)21-12-7-13-22(2)17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyWPGZCTOSFKDXFW-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[3-(N-methylanilino)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200305
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
N-[3-(3-chloro-N-methylanilino)propyl]acetamide
CID 154166795
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide
CID 132652146
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
3-[2-(3-chlorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107230

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide (CID 43003068) is 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
The InChIKey is WPGZCTOSFKDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-15(24-18-11-6-8-16(20)14-18)19(23)21-12-7-13-22(2)17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide?
2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide is sourced from PubChem (CID 43003068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).