N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide

C19H24N2O2 — CID 119548986

IUPACN-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-11-15(2)13-18(12-14)23-10-8-19(22)21-9-7-16-3-5-17(20)6-4-16/h3-6,11-13H,7-10,20H2,1-2H3,(H,21,22)
InChIKeyIPLQDDZTEITNCH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide

N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 119548986) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
PubChem CID119548986
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-11-15(2)13-18(12-14)23-10-8-19(22)21-9-7-16-3-5-17(20)6-4-16/h3-6,11-13H,7-10,20H2,1-2H3,(H,21,22)
InChIKeyIPLQDDZTEITNCH-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide
CID 119549392
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119549391
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenoxy)propanamide;hydrochloride
CID 119548049
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
N-[2-(4-aminophenyl)ethyl]-4-(3-bromophenoxy)butanamide
CID 119548665
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 119549491
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide (CID 119548986) is N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OCCC(=O)NCCc2ccc(N)cc2)c1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is IPLQDDZTEITNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-11-15(2)13-18(12-14)23-10-8-19(22)21-9-7-16-3-5-17(20)6-4-16/h3-6,11-13H,7-10,20H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide?
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 119548986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).