tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate

C16H24N2O4 — CID 71862106

IUPACtert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCc1ccoc1C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H24N2O4/c1-11-7-9-21-13(11)14(19)18-8-6-12(10-18)17(5)15(20)22-16(2,3)4/h7,9,12H,6,8,10H2,1-5H3
InChIKeySADGZQXHDPFKKK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.67
Rot. Bonds2

About tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 71862106) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID71862106
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCc1ccoc1C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H24N2O4/c1-11-7-9-21-13(11)14(19)18-8-6-12(10-18)17(5)15(20)22-16(2,3)4/h7,9,12H,6,8,10H2,1-5H3
InChIKeySADGZQXHDPFKKK-UHFFFAOYSA-N
XLogP2.67
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetyl 1-(2-furoyl)piperazine
CID 565340
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
2-[1-(furan-2-yl)-N-methylformamido]acetic acid
CID 784792
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405
4-(2-Furylcarbonyl)piperazinyl pyrrolidinyl ketone
CID 971283
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177
N-[2-(2-furoylamino)-1-methylethyl]-2-furamide
CID 2837020
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate (CID 71862106) is tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate is Cc1ccoc1C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is SADGZQXHDPFKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11-7-9-21-13(11)14(19)18-8-6-12(10-18)17(5)15(20)22-16(2,3)4/h7,9,12H,6,8,10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 71862106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).