N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide

C19H23ClN2O2 — CID 109022433

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-24-18-8-4-16(5-9-18)14-21-12-11-19(23)22-13-10-15-2-6-17(20)7-3-15/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyCIEWKXJFFULVEV-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.19
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109022433) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109022433
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-24-18-8-4-16(5-9-18)14-21-12-11-19(23)22-13-10-15-2-6-17(20)7-3-15/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyCIEWKXJFFULVEV-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109022433) is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is CIEWKXJFFULVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-24-18-8-4-16(5-9-18)14-21-12-11-19(23)22-13-10-15-2-6-17(20)7-3-15/h2-9,21H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).