N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide

C19H23ClN2O3 — CID 109021354

IUPACN-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCNCCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3/c1-24-16-6-8-17(9-7-16)25-13-12-21-11-10-19(23)22-14-15-4-2-3-5-18(15)20/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyPAYOVWBBGSTUOA-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.02
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide

N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide (PubChem CID 109021354) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
PubChem CID109021354
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCNCCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3/c1-24-16-6-8-17(9-7-16)25-13-12-21-11-10-19(23)22-14-15-4-2-3-5-18(15)20/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyPAYOVWBBGSTUOA-UHFFFAOYSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
N-(2-chlorophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031126
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019458
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide (CID 109021354) is N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide is COc1ccc(OCCNCCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The InChIKey is PAYOVWBBGSTUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-24-16-6-8-17(9-7-16)25-13-12-21-11-10-19(23)22-14-15-4-2-3-5-18(15)20/h2-9,21H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide has a molecular weight of 362.86 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide is sourced from PubChem (CID 109021354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).