N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide

C19H23ClN2O3 — CID 109021346

IUPACN-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-24-17-8-7-14(11-18(17)25-2)12-21-10-9-19(23)22-13-15-5-3-4-6-16(15)20/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyRTPYJXBDUDGHGP-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.15
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide

N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide (PubChem CID 109021346) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
PubChem CID109021346
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-24-17-8-7-14(11-18(17)25-2)12-21-10-9-19(23)22-13-15-5-3-4-6-16(15)20/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyRTPYJXBDUDGHGP-UHFFFAOYSA-N
XLogP3.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.15
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

2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
3-[(3,4-dimethoxyphenyl)methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 50969709
3-[(2-chlorophenyl)methylsulfanyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 4988113
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
1-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111175564
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
CID 109028248

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide (CID 109021346) is N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)NCc2ccccc2Cl)cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The InChIKey is RTPYJXBDUDGHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-24-17-8-7-14(11-18(17)25-2)12-21-10-9-19(23)22-13-15-5-3-4-6-16(15)20/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide has a molecular weight of 362.86 g/mol, XLogP of 3.15, 9 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-[(3,4-dimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109021346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).