tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate

C28H37N3O5 — CID 18018094

IUPACtert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
SMILESCCc1ccc(C(C(=O)Nc2ccc(OC)cc2)N(C(=O)CNC(=O)OC(C)(C)C)C2CC2C)cc1
InChIInChI=1S/C28H37N3O5/c1-7-19-8-10-20(11-9-19)25(26(33)30-21-12-14-22(35-6)15-13-21)31(23-16-18(23)2)24(32)17-29-27(34)36-28(3,4)5/h8-15,18,23,25H,7,16-17H2,1-6H3,(H,29,34)(H,30,33)
InChIKeyUTVLQPGPDVMFKC-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.70
Rot. Bonds9

About tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate (PubChem CID 18018094) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
PubChem CID18018094
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC Nametert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
SMILESCCc1ccc(C(C(=O)Nc2ccc(OC)cc2)N(C(=O)CNC(=O)OC(C)(C)C)C2CC2C)cc1
InChIInChI=1S/C28H37N3O5/c1-7-19-8-10-20(11-9-19)25(26(33)30-21-12-14-22(35-6)15-13-21)31(23-16-18(23)2)24(32)17-29-27(34)36-28(3,4)5/h8-15,18,23,25H,7,16-17H2,1-6H3,(H,29,34)(H,30,33)
InChIKeyUTVLQPGPDVMFKC-UHFFFAOYSA-N
XLogP4.70
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018091
tert-butyl N-[2-[cyclopropyl-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18016519
tert-butyl N-[2-[[1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018199
tert-butyl N-[2-[[1-(4-ethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018086
tert-butyl N-[1-[cyclopropyl-[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18010969
tert-butyl N-[2-[[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015184
tert-butyl N-[2-[[1-(3,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018106
tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18017734
tert-butyl N-[2-[butyl-[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18018604
tert-butyl N-[1-[cyclobutyl-[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 18023509
tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]carbamate
CID 18017521
tert-butyl N-[2-[cyclopropyl-[1-(4-ethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18016665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate (CID 18018094) is tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate is CCc1ccc(C(C(=O)Nc2ccc(OC)cc2)N(C(=O)CNC(=O)OC(C)(C)C)C2CC2C)cc1.
What is the InChIKey of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
The InChIKey is UTVLQPGPDVMFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-7-19-8-10-20(11-9-19)25(26(33)30-21-12-14-22(35-6)15-13-21)31(23-16-18(23)2)24(32)17-29-27(34)36-28(3,4)5/h8-15,18,23,25H,7,16-17H2,1-6H3,(H,29,34)(H,30,33).
What are the key properties of tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate has a molecular weight of 495.62 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(4-ethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18018094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).