tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate

C17H23N3O4 — CID 70294522

IUPACtert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NC(=O)Nc2ccccc2)CCC1
InChIInChI=1S/C17H23N3O4/c1-16(2,3)24-15(23)20-17(10-7-11-17)13(21)19-14(22)18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyTVVDTZOXCYDPMS-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.78
Rot. Bonds3

About tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate

tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate (PubChem CID 70294522) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate
PubChem CID70294522
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NC(=O)Nc2ccccc2)CCC1
InChIInChI=1S/C17H23N3O4/c1-16(2,3)24-15(23)20-17(10-7-11-17)13(21)19-14(22)18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyTVVDTZOXCYDPMS-UHFFFAOYSA-N
XLogP2.78
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 86716672
(2E)-2-[[4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutanecarbonyl]amino]phenyl]methylidene]butanoic acid
CID 66795276
ethyl (E)-3-[4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoate
CID 58826723
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl N-[1-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]cyclobutyl]carbamate
CID 66620541
tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 66921345
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
tert-butyl (NZ)-N-[methylsulfanyl-(phenylcarbamoylamino)methylidene]carbamate
CID 166498705
tert-butyl N-[1-[(4-chloroanilino)carbamoyl]cyclopropyl]carbamate
CID 170945244
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate (CID 70294522) is tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)NC(=O)Nc2ccccc2)CCC1.
What is the InChIKey of tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate?
The InChIKey is TVVDTZOXCYDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-16(2,3)24-15(23)20-17(10-7-11-17)13(21)19-14(22)18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,20,23)(H2,18,19,21,22).
What are the key properties of tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate?
tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate is sourced from PubChem (CID 70294522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).