tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate

C19H23N3O5 — CID 42014589

IUPACtert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)20-11-10-16(23)21-13-6-8-14(9-7-13)22-17(24)15-5-4-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyCCZDYZJXHWUQCL-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.39
Rot. Bonds6

About tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate (PubChem CID 42014589) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
PubChem CID42014589
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nametert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)20-11-10-16(23)21-13-6-8-14(9-7-13)22-17(24)15-5-4-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyCCZDYZJXHWUQCL-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate
CID 46559187
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919913
tert-butyl N-[3-[4-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919818
tert-butyl N-[3-(4-decylanilino)-3-oxopropyl]carbamate
CID 162755789
tert-butyl N-[3-[4-[(naphthalene-1-carbonylamino)methyl]anilino]-3-oxopropyl]carbamate
CID 108920522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate (CID 42014589) is tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate?
The InChIKey is CCZDYZJXHWUQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)20-11-10-16(23)21-13-6-8-14(9-7-13)22-17(24)15-5-4-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate is sourced from PubChem (CID 42014589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).