tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate

C17H27N3O3 — CID 146853096

IUPACtert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate
SMILESCN(C)CC(=O)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)18-11-10-13-6-8-14(9-7-13)19-15(21)12-20(4)5/h6-9H,10-12H2,1-5H3,(H,18,22)(H,19,21)
InChIKeySJBAUKHWTORVNS-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.25
Rot. Bonds6

About tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate

tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate (PubChem CID 146853096) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate
PubChem CID146853096
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate
SMILESCN(C)CC(=O)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)18-11-10-13-6-8-14(9-7-13)19-15(21)12-20(4)5/h6-9H,10-12H2,1-5H3,(H,18,22)(H,19,21)
InChIKeySJBAUKHWTORVNS-UHFFFAOYSA-N
XLogP2.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
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tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
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tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
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CID 141484453
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
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tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
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tert-butyl N-[3-[4-[[3-(4-methylphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate (CID 146853096) is tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate is CN(C)CC(=O)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate?
The InChIKey is SJBAUKHWTORVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)18-11-10-13-6-8-14(9-7-13)19-15(21)12-20(4)5/h6-9H,10-12H2,1-5H3,(H,18,22)(H,19,21).
What are the key properties of tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate is sourced from PubChem (CID 146853096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).