tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate

C26H34N2O4 — CID 166492114

IUPACtert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
SMILESCOc1ccc(CN(CCNC(=O)OC(C)(C)C)CC(=O)c2ccccc2C2CC2)cc1
InChIInChI=1S/C26H34N2O4/c1-26(2,3)32-25(30)27-15-16-28(17-19-9-13-21(31-4)14-10-19)18-24(29)23-8-6-5-7-22(23)20-11-12-20/h5-10,13-14,20H,11-12,15-18H2,1-4H3,(H,27,30)
InChIKeyUGDAZMNNGJBWKD-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.78
Rot. Bonds10

About tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate (PubChem CID 166492114) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
PubChem CID166492114
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Nametert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
SMILESCOc1ccc(CN(CCNC(=O)OC(C)(C)C)CC(=O)c2ccccc2C2CC2)cc1
InChIInChI=1S/C26H34N2O4/c1-26(2,3)32-25(30)27-15-16-28(17-19-9-13-21(31-4)14-10-19)18-24(29)23-8-6-5-7-22(23)20-11-12-20/h5-10,13-14,20H,11-12,15-18H2,1-4H3,(H,27,30)
InChIKeyUGDAZMNNGJBWKD-UHFFFAOYSA-N
XLogP4.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[6-bromohexyl-[(2-cyclopropylphenyl)methyl]amino]ethyl]carbamate
CID 90786799
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
chloromethyl 2-[benzyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 165439269
tert-butyl N-[2-[benzyl-[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]carbamate
CID 86698164
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
CID 122213269
tert-butyl N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]carbamate
CID 91482840
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-[bis[(6-chloro-3-pyridinyl)methyl]amino]ethyl]carbamate
CID 87330988
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate (CID 166492114) is tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate is COc1ccc(CN(CCNC(=O)OC(C)(C)C)CC(=O)c2ccccc2C2CC2)cc1.
What is the InChIKey of tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?
The InChIKey is UGDAZMNNGJBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-26(2,3)32-25(30)27-15-16-28(17-19-9-13-21(31-4)14-10-19)18-24(29)23-8-6-5-7-22(23)20-11-12-20/h5-10,13-14,20H,11-12,15-18H2,1-4H3,(H,27,30).
What are the key properties of tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate has a molecular weight of 438.57 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(2-cyclopropylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate is sourced from PubChem (CID 166492114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).