tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate

C29H35N3O3 — CID 176575811

IUPACtert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate
SMILESCCc1cccc(-c2cnc(C)c(NC(=O)CN(Cc3cccc(C)c3)C(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C29H35N3O3/c1-7-22-11-9-13-24(15-22)25-16-26(21(3)30-17-25)31-27(33)19-32(28(34)35-29(4,5)6)18-23-12-8-10-20(2)14-23/h8-17H,7,18-19H2,1-6H3,(H,31,33)
InChIKeyUAERECFCLOCAJJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.30
Rot. Bonds7

About tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate

tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate (PubChem CID 176575811) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate
PubChem CID176575811
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Nametert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate
SMILESCCc1cccc(-c2cnc(C)c(NC(=O)CN(Cc3cccc(C)c3)C(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C29H35N3O3/c1-7-22-11-9-13-24(15-22)25-16-26(21(3)30-17-25)31-27(33)19-32(28(34)35-29(4,5)6)18-23-12-8-10-20(2)14-23/h8-17H,7,18-19H2,1-6H3,(H,31,33)
InChIKeyUAERECFCLOCAJJ-UHFFFAOYSA-N
XLogP6.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[2-(5-aminopentylcarbamoyl)-5-(3-ethylphenyl)-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate
CID 176581675
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
ethane;ethyl 2-[2-[2-[[3-[[2-[(3-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]-5-phenylpyridine-2-carbonyl]amino]ethoxy]ethylamino]acetate
CID 176575588
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
(2,3,4,5,6-pentafluorophenyl) 2-[4-[[1-[5-(3-ethylphenyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl-(pyrimidin-4-ylmethyl)amino]acetyl]amino]pyridine-2-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176577888
tert-butyl N-[2-[[5-(3-ethylphenyl)-2-[2-[3-[2-[[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]amino]ethyl]oxetan-3-yl]ethylcarbamoyl]-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate
CID 176578910
5-(3-ethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-2-carboxylic acid
CID 176581566
tert-butyl N-[2-[2-(2-aminoethoxy)ethylcarbamoyl]-5-(3-ethylphenyl)-3-pyridinyl]carbamate
CID 176581654
tert-butyl N-[[3-(2-chloropyrimidin-4-yl)phenyl]methyl]-N-ethylcarbamate
CID 86603270
tert-butyl N-[2-[[3-(2-chloropyrimidin-5-yl)phenyl]methyl-ethylamino]-2-oxoethyl]carbamate
CID 88768834
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
3-[4-[2-[[5-(3-ethylphenyl)-3-[[2-[(1-methyl-2-oxopiperidin-4-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]pyridine-2-carbonyl]amino]ethyl]triazol-1-yl]propanoic acid
CID 176577941

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate (CID 176575811) is tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate is CCc1cccc(-c2cnc(C)c(NC(=O)CN(Cc3cccc(C)c3)C(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate?
The InChIKey is UAERECFCLOCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-7-22-11-9-13-24(15-22)25-16-26(21(3)30-17-25)31-27(33)19-32(28(34)35-29(4,5)6)18-23-12-8-10-20(2)14-23/h8-17H,7,18-19H2,1-6H3,(H,31,33).
What are the key properties of tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate?
tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate has a molecular weight of 473.62 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]carbamate is sourced from PubChem (CID 176575811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).