3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide

C18H21ClN2O3 — CID 18124700

IUPAC3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
SMILESCOc1ccc(N(CCOc2ccccc2Cl)CCC(N)=O)cc1
InChIInChI=1S/C18H21ClN2O3/c1-23-15-8-6-14(7-9-15)21(11-10-18(20)22)12-13-24-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H2,20,22)
InChIKeyNANMFNLFCJNPDG-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.11
Rot. Bonds9

About 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide

3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide (PubChem CID 18124700) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide.

Molecular Properties

Compound Name3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
PubChem CID18124700
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
SMILESCOc1ccc(N(CCOc2ccccc2Cl)CCC(N)=O)cc1
InChIInChI=1S/C18H21ClN2O3/c1-23-15-8-6-14(7-9-15)21(11-10-18(20)22)12-13-24-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H2,20,22)
InChIKeyNANMFNLFCJNPDG-UHFFFAOYSA-N
XLogP3.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18127351
3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide
CID 86891133
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
CID 18131479
3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39088895
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780

Frequently Asked Questions

What is the IUPAC name of 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide?
The IUPAC name of 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide (CID 18124700) is 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide.
What is the SMILES notation for 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide?
The canonical SMILES for 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide is COc1ccc(N(CCOc2ccccc2Cl)CCC(N)=O)cc1.
What is the InChIKey of 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide?
The InChIKey is NANMFNLFCJNPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-15-8-6-14(7-9-15)21(11-10-18(20)22)12-13-24-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H2,20,22).
What are the key properties of 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide?
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide has a molecular weight of 348.83 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 3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide is sourced from PubChem (CID 18124700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).