3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide

C18H22N2O2 — CID 119949515

IUPAC3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1cccc(CCNC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-22-16-9-5-6-14(12-16)10-11-20-18(21)13-17(19)15-7-3-2-4-8-15/h2-9,12,17H,10-11,13,19H2,1H3,(H,20,21)
InChIKeyLLLVGKGWRWLHIP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds7

About 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide

3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 119949515) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID119949515
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1cccc(CCNC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-22-16-9-5-6-14(12-16)10-11-20-18(21)13-17(19)15-7-3-2-4-8-15/h2-9,12,17H,10-11,13,19H2,1H3,(H,20,21)
InChIKeyLLLVGKGWRWLHIP-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110411477
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951056
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide (CID 119949515) is 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide is COc1cccc(CCNC(=O)CC(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is LLLVGKGWRWLHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-16-9-5-6-14(12-16)10-11-20-18(21)13-17(19)15-7-3-2-4-8-15/h2-9,12,17H,10-11,13,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide?
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.44, 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-(3-methoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119949515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).