3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide

C19H24N2O2 — CID 119949182

IUPAC3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1cccc(OCCN(C)C(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-7-6-10-17(13-15)23-12-11-21(2)19(22)14-18(20)16-8-4-3-5-9-16/h3-10,13,18H,11-12,14,20H2,1-2H3
InChIKeyVGFXXGWAAHEHED-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.92
Rot. Bonds7

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

3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide (PubChem CID 119949182) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
PubChem CID119949182
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1cccc(OCCN(C)C(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-7-6-10-17(13-15)23-12-11-21(2)19(22)14-18(20)16-8-4-3-5-9-16/h3-10,13,18H,11-12,14,20H2,1-2H3
InChIKeyVGFXXGWAAHEHED-UHFFFAOYSA-N
XLogP2.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide
CID 119950695
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide (CID 119949182) is 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide is Cc1cccc(OCCN(C)C(=O)CC(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide?
The InChIKey is VGFXXGWAAHEHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-7-6-10-17(13-15)23-12-11-21(2)19(22)14-18(20)16-8-4-3-5-9-16/h3-10,13,18H,11-12,14,20H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide?
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119949182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).