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

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Related Compounds

2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
CID 59081943
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-naphthalen-2-ylbutanoate
CID 54267401
(2R)-N-carbamoyl-2-[methyl(3-naphthalen-2-ylpropanoyl)amino]-3-phenylpropanamide
CID 173291028
tert-butyl N-[(2R)-1-(1-aminoethylideneamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
CID 59047476
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 54171762
(E)-5-amino-N-[1-[[3-(3,4-difluorophenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-ethyl-N-methylhept-2-enamide
CID 20827412
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
(E)-5-amino-N-[(2R)-1-[[(2R)-3-(4-fluorophenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
CID 59057222
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 133236497
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391

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).