(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide

C17H22N2O — CID 79011768

IUPAC(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
SMILESCCN(C(=O)[C@H](N)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-4-19(17(20)16(18)12(2)3)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,16H,4,18H2,1-3H3/t16-/m1/s1
InChIKeyMIYQSXSZLBPDJO-MRXNPFEDSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds4

About (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide

(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide (PubChem CID 79011768) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
PubChem CID79011768
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
SMILESCCN(C(=O)[C@H](N)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-4-19(17(20)16(18)12(2)3)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,16H,4,18H2,1-3H3/t16-/m1/s1
InChIKeyMIYQSXSZLBPDJO-MRXNPFEDSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide?
The IUPAC name of (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide (CID 79011768) is (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide?
The canonical SMILES for (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide is CCN(C(=O)[C@H](N)C(C)C)c1cccc2ccccc12.
What is the InChIKey of (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide?
The InChIKey is MIYQSXSZLBPDJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-19(17(20)16(18)12(2)3)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,16H,4,18H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide?
(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide has a molecular weight of 270.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 79011768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).