N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide

C18H21ClN2O2 — CID 119549010

IUPACN-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCCc2ccc(N)cc2)ccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12-11-16(7-8-17(12)19)23-13(2)18(22)21-10-9-14-3-5-15(20)6-4-14/h3-8,11,13H,9-10,20H2,1-2H3,(H,21,22)
InChIKeyFYPVGXWNMIRMDM-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide

N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide (PubChem CID 119549010) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide
PubChem CID119549010
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCCc2ccc(N)cc2)ccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12-11-16(7-8-17(12)19)23-13(2)18(22)21-10-9-14-3-5-15(20)6-4-14/h3-8,11,13H,9-10,20H2,1-2H3,(H,21,22)
InChIKeyFYPVGXWNMIRMDM-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.36
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

(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7415114
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
CID 119547439
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
5-[2-(4-chloro-3-methylphenoxy)propanoylamino]pentanoic acid
CID 119235299
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 43843190
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35341887
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide (CID 119549010) is N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide is Cc1cc(OC(C)C(=O)NCCc2ccc(N)cc2)ccc1Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide?
The InChIKey is FYPVGXWNMIRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-11-16(7-8-17(12)19)23-13(2)18(22)21-10-9-14-3-5-15(20)6-4-14/h3-8,11,13H,9-10,20H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide?
N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.36, 6 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]-2-(4-chloro-3-methylphenoxy)propanamide is sourced from PubChem (CID 119549010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).