(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide

C14H23N3O2 — CID 54991399

IUPAC(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(CNC(=O)[C@@H](C)N)N(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-10(15)14(18)16-9-13(17(2)3)11-6-5-7-12(8-11)19-4/h5-8,10,13H,9,15H2,1-4H3,(H,16,18)/t10-,13?/m1/s1
InChIKeyUTSZDDUQSAWLGY-VUUHIHSGSA-N
MW265.36 g/mol
LogP0.76
Rot. Bonds6

About (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide

(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 54991399) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID54991399
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(CNC(=O)[C@@H](C)N)N(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-10(15)14(18)16-9-13(17(2)3)11-6-5-7-12(8-11)19-4/h5-8,10,13H,9,15H2,1-4H3,(H,16,18)/t10-,13?/m1/s1
InChIKeyUTSZDDUQSAWLGY-VUUHIHSGSA-N
XLogP0.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide (CID 54991399) is (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(C(CNC(=O)[C@@H](C)N)N(C)C)c1.
What is the InChIKey of (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is UTSZDDUQSAWLGY-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(15)14(18)16-9-13(17(2)3)11-6-5-7-12(8-11)19-4/h5-8,10,13H,9,15H2,1-4H3,(H,16,18)/t10-,13?/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 54991399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).