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

C19H23ClN2O — CID 109019936

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-15-2-4-17(5-3-15)14-21-12-11-19(23)22-13-10-16-6-8-18(20)9-7-16/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeySYZPXNISIJEQFS-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.49
Rot. Bonds8

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

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109019936) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109019936
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-15-2-4-17(5-3-15)14-21-12-11-19(23)22-13-10-16-6-8-18(20)9-7-16/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeySYZPXNISIJEQFS-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016879
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide (CID 109019936) is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CNCCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is SYZPXNISIJEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-15-2-4-17(5-3-15)14-21-12-11-19(23)22-13-10-16-6-8-18(20)9-7-16/h2-9,21H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 330.86 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).