tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate

C20H26N2O4 — CID 78852970

IUPACtert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate
SMILESCC(c1ccco1)N(C)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H26N2O4/c1-14(17-7-6-12-25-17)22(5)18(23)13-15-8-10-16(11-9-15)21-19(24)26-20(2,3)4/h6-12,14H,13H2,1-5H3,(H,21,24)
InChIKeyLXVKPVDFQIPEEM-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.39
Rot. Bonds5

About tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate (PubChem CID 78852970) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate
PubChem CID78852970
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nametert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate
SMILESCC(c1ccco1)N(C)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H26N2O4/c1-14(17-7-6-12-25-17)22(5)18(23)13-15-8-10-16(11-9-15)21-19(24)26-20(2,3)4/h6-12,14H,13H2,1-5H3,(H,21,24)
InChIKeyLXVKPVDFQIPEEM-UHFFFAOYSA-N
XLogP4.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate
CID 46559187
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[4-[2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-2-oxoethyl]phenyl]carbamate
CID 46556916
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
tert-butyl N-[4-[2-[[4-(dimethylamino)phenyl]methyl-ethylamino]-2-oxoethyl]phenyl]carbamate
CID 78847600
tert-butyl N-[4-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]phenyl]carbamate
CID 51933378
tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate
CID 90364732
tert-butyl N-[4-[2-[cyanomethyl(ethyl)amino]-2-oxoethyl]phenyl]carbamate
CID 86859446
tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate
CID 42946614
tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
CID 107240911
tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
CID 46556125

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate (CID 78852970) is tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate is CC(c1ccco1)N(C)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is LXVKPVDFQIPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(17-7-6-12-25-17)22(5)18(23)13-15-8-10-16(11-9-15)21-19(24)26-20(2,3)4/h6-12,14H,13H2,1-5H3,(H,21,24).
What are the key properties of tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 78852970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).