tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate

C16H23N3O4 — CID 9224948

IUPACtert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
SMILESCCNC(=O)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23N3O4/c1-5-17-13(20)10-18-14(21)11-6-8-12(9-7-11)19-15(22)23-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyFIKDEOJBMPAQDT-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.90
Rot. Bonds5

About tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate (PubChem CID 9224948) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
PubChem CID9224948
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nametert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
SMILESCCNC(=O)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23N3O4/c1-5-17-13(20)10-18-14(21)11-6-8-12(9-7-11)19-15(22)23-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyFIKDEOJBMPAQDT-UHFFFAOYSA-N
XLogP1.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
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tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
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tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
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tert-butyl N-(4-butanoylphenyl)carbamate
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N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
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tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
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methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]hexanoate
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tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate (CID 9224948) is tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate is CCNC(=O)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The InChIKey is FIKDEOJBMPAQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-5-17-13(20)10-18-14(21)11-6-8-12(9-7-11)19-15(22)23-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9224948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).