3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide

C20H26N2O2 — CID 119695394

IUPAC3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1ccc(OCCN(C)C(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-9-11-18(12-10-15)24-14-13-22(3)20(23)16(2)19(21)17-7-5-4-6-8-17/h4-12,16,19H,13-14,21H2,1-3H3
InChIKeyOKJQSXQJAORNJK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.17
Rot. Bonds7

About 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide

3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide (PubChem CID 119695394) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
PubChem CID119695394
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1ccc(OCCN(C)C(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-9-11-18(12-10-15)24-14-13-22(3)20(23)16(2)19(21)17-7-5-4-6-8-17/h4-12,16,19H,13-14,21H2,1-3H3
InChIKeyOKJQSXQJAORNJK-UHFFFAOYSA-N
XLogP3.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286550
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 86909753
3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119717391
(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
CID 98700243
2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
CID 65229723
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide (CID 119695394) is 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide is Cc1ccc(OCCN(C)C(=O)C(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
The InChIKey is OKJQSXQJAORNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-9-11-18(12-10-15)24-14-13-22(3)20(23)16(2)19(21)17-7-5-4-6-8-17/h4-12,16,19H,13-14,21H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119695394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).