N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide

C17H28N2O2 — CID 119549491

IUPACN-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OCCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)12-14(3)21-11-9-17(20)19-10-8-15-4-6-16(18)7-5-15/h4-7,13-14H,8-12,18H2,1-3H3,(H,19,20)
InChIKeyWTLABYHVSOSPSG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.77
Rot. Bonds9

About N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide

N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide (PubChem CID 119549491) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
PubChem CID119549491
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OCCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)12-14(3)21-11-9-17(20)19-10-8-15-4-6-16(18)7-5-15/h4-7,13-14H,8-12,18H2,1-3H3,(H,19,20)
InChIKeyWTLABYHVSOSPSG-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.77
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-(3,5-dimethylphenoxy)propanamide
CID 119548986
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
CID 119548257
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenoxy)propanamide;hydrochloride
CID 119548049
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
CID 119549004
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide
CID 119549392
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119549003
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
CID 102694281
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119549391

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide (CID 119549491) is N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide is CC(C)CC(C)OCCC(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
The InChIKey is WTLABYHVSOSPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)12-14(3)21-11-9-17(20)19-10-8-15-4-6-16(18)7-5-15/h4-7,13-14H,8-12,18H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.77, 9 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-(4-methylpentan-2-yloxy)propanamide is sourced from PubChem (CID 119549491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).