3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide

C18H22N2O2 — CID 119948894

IUPAC3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccccc1C(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(15-10-6-7-11-17(15)22-2)20-18(21)12-16(19)14-8-4-3-5-9-14/h3-11,13,16H,12,19H2,1-2H3,(H,20,21)
InChIKeyBBTOOFIIROCQMH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds6

About 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide

3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 119948894) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID119948894
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccccc1C(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(15-10-6-7-11-17(15)22-2)20-18(21)12-16(19)14-8-4-3-5-9-14/h3-11,13,16H,12,19H2,1-2H3,(H,20,21)
InChIKeyBBTOOFIIROCQMH-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide
CID 81087802
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
3-(ethylamino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387789
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 81387632

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide (CID 119948894) is 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide is COc1ccccc1C(C)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is BBTOOFIIROCQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(15-10-6-7-11-17(15)22-2)20-18(21)12-16(19)14-8-4-3-5-9-14/h3-11,13,16H,12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119948894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).