3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide

C19H23ClN2O2 — CID 119804637

IUPAC3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(24-17-10-8-16(20)9-11-17)12-22-19(23)14(2)18(21)15-6-4-3-5-7-15/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23)
InChIKeyWGPSVOQCWLPXAB-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.56
Rot. Bonds7

About 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide (PubChem CID 119804637) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
PubChem CID119804637
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(24-17-10-8-16(20)9-11-17)12-22-19(23)14(2)18(21)15-6-4-3-5-7-15/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23)
InChIKeyWGPSVOQCWLPXAB-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804745
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119813958
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide (CID 119804637) is 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide is CC(CNC(=O)C(C)C(N)c1ccccc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide?
The InChIKey is WGPSVOQCWLPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(24-17-10-8-16(20)9-11-17)12-22-19(23)14(2)18(21)15-6-4-3-5-7-15/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23).
What are the key properties of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide has a molecular weight of 346.86 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119804637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).