tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

C27H35N3O4 — CID 18016755

IUPACtert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCc1ccccc1NC(=O)C(c1c(C)cccc1C)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C27H35N3O4/c1-17-10-7-8-13-21(17)29-25(32)24(23-18(2)11-9-12-19(23)3)30(20-14-15-20)22(31)16-28-26(33)34-27(4,5)6/h7-13,20,24H,14-16H2,1-6H3,(H,28,33)(H,29,32)
InChIKeyVKGJWWFMHUQGSJ-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.81
Rot. Bonds7

About tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 18016755) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID18016755
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Nametert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCc1ccccc1NC(=O)C(c1c(C)cccc1C)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C27H35N3O4/c1-17-10-7-8-13-21(17)29-25(32)24(23-18(2)11-9-12-19(23)3)30(20-14-15-20)22(31)16-28-26(33)34-27(4,5)6/h7-13,20,24H,14-16H2,1-6H3,(H,28,33)(H,29,32)
InChIKeyVKGJWWFMHUQGSJ-UHFFFAOYSA-N
XLogP4.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[cyclopropyl-[1-(4-ethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18016665
tert-butyl N-[2-[[2-(benzylamino)-1-(2,6-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate
CID 18017894
tert-butyl N-[2-[cyclobutyl-[2-(2,6-dimethylanilino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18017688
tert-butyl N-[2-[ethyl-[2-(2-methylanilino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18015375
tert-butyl N-[2-[cyclopropyl-[1-(2,3-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18016726
tert-butyl N-[2-[[2-(2-methylanilino)-1-(3-methylphenyl)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]carbamate
CID 18017415
tert-butyl N-[2-[[1-(3,5-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015255
tert-butyl N-[2-[cyclopropyl-[1-(2,3-dimethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18016729
tert-butyl N-[2-[[2-(2-chloro-6-methylanilino)-1-(4-ethynylphenyl)-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]carbamate
CID 18016622
tert-butyl N-[2-[butan-2-yl-[1-(2,3-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18019005
tert-butyl N-[2-[cyclopropyl-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18016519
tert-butyl N-[2-[[1-(3-ethenylphenyl)-2-(2-methylanilino)-2-oxoethyl]-(2-methylcyclopropyl)amino]-2-oxoethyl]carbamate
CID 18018075

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 18016755) is tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is Cc1ccccc1NC(=O)C(c1c(C)cccc1C)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is VKGJWWFMHUQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-17-10-7-8-13-21(17)29-25(32)24(23-18(2)11-9-12-19(23)3)30(20-14-15-20)22(31)16-28-26(33)34-27(4,5)6/h7-13,20,24H,14-16H2,1-6H3,(H,28,33)(H,29,32).
What are the key properties of tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 465.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[cyclopropyl-[1-(2,6-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18016755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).