tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate

C23H29N3O4 — CID 102159056

IUPACtert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate
SMILESCNC(=O)Cc1ccccc1NC(=O)Cc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)25-15-18-11-6-5-9-16(18)13-21(28)26-19-12-8-7-10-17(19)14-20(27)24-4/h5-12H,13-15H2,1-4H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyBCVGUHUNTMXJSV-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.18
Rot. Bonds7

About tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate

tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate (PubChem CID 102159056) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate
PubChem CID102159056
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nametert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate
SMILESCNC(=O)Cc1ccccc1NC(=O)Cc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)25-15-18-11-6-5-9-16(18)13-21(28)26-19-12-8-7-10-17(19)14-20(27)24-4/h5-12H,13-15H2,1-4H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyBCVGUHUNTMXJSV-UHFFFAOYSA-N
XLogP3.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918152
tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
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tert-butyl N-[3-[2-[(2-methylprop-2-enoylamino)methyl]anilino]-3-oxopropyl]carbamate
CID 108921120
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
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tert-butyl N-[[2-(prop-2-enylamino)phenyl]methyl]carbamate
CID 101342839
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
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tert-butyl N-[2-[2-[(3-methoxypropanoylamino)methyl]anilino]-2-oxoethyl]carbamate
CID 108918087
tert-butyl N-[2-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]anilino]-2-oxoethyl]carbamate
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tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate (CID 102159056) is tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate is CNC(=O)Cc1ccccc1NC(=O)Cc1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate?
The InChIKey is BCVGUHUNTMXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)25-15-18-11-6-5-9-16(18)13-21(28)26-19-12-8-7-10-17(19)14-20(27)24-4/h5-12H,13-15H2,1-4H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate?
tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate has a molecular weight of 411.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate is sourced from PubChem (CID 102159056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).