2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate

C29H31N3O3 — CID 59081959

IUPAC2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate
SMILESCN(C(=O)OCCN)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C29H31N3O3/c1-32(29(34)35-17-15-30)27(20-22-11-13-24-7-3-5-9-26(24)19-22)28(33)31-16-14-21-10-12-23-6-2-4-8-25(23)18-21/h2-13,18-19,27H,14-17,20,30H2,1H3,(H,31,33)/t27-/m1/s1
InChIKeyJOBWJYVGGNVGGG-HHHXNRCGSA-N
MW469.59 g/mol
LogP4.29
Rot. Bonds9

About 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate

2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 59081959) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID59081959
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate
SMILESCN(C(=O)OCCN)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C29H31N3O3/c1-32(29(34)35-17-15-30)27(20-22-11-13-24-7-3-5-9-26(24)19-22)28(33)31-16-14-21-10-12-23-6-2-4-8-25(23)18-21/h2-13,18-19,27H,14-17,20,30H2,1H3,(H,31,33)/t27-/m1/s1
InChIKeyJOBWJYVGGNVGGG-HHHXNRCGSA-N
XLogP4.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate 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 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate (CID 59081959) is 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate is CN(C(=O)OCCN)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc2ccccc2c1.
What is the InChIKey of 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is JOBWJYVGGNVGGG-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-32(29(34)35-17-15-30)27(20-22-11-13-24-7-3-5-9-26(24)19-22)28(33)31-16-14-21-10-12-23-6-2-4-8-25(23)18-21/h2-13,18-19,27H,14-17,20,30H2,1H3,(H,31,33)/t27-/m1/s1.
What are the key properties of 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate?
2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 469.59 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 59081959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).