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

C19H23N3O5 — CID 9081148

IUPACtert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-14-8-6-13(7-9-14)17(24)21-12-16(23)20-11-15-5-4-10-26-15/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyXJPFUPKZPDWKRT-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.67
Rot. Bonds6

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

tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate (PubChem CID 9081148) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
PubChem CID9081148
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nametert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-14-8-6-13(7-9-14)17(24)21-12-16(23)20-11-15-5-4-10-26-15/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyXJPFUPKZPDWKRT-UHFFFAOYSA-N
XLogP2.67
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9224948
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate (CID 9081148) is tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1.
What is the InChIKey of tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
The InChIKey is XJPFUPKZPDWKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-14-8-6-13(7-9-14)17(24)21-12-16(23)20-11-15-5-4-10-26-15/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9081148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).