(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide

C17H20N2O3 — CID 94649811

IUPAC(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CC[C@H](C(N)=O)C3)oc12
InChIInChI=1S/C17H20N2O3/c1-9-4-5-10(2)14-13(9)11(3)15(22-14)17(21)19-7-6-12(8-19)16(18)20/h4-5,12H,6-8H2,1-3H3,(H2,18,20)/t12-/m0/s1
InChIKeyDBFSWUJPUDVPDX-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.31
Rot. Bonds2

About (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide

(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 94649811) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID94649811
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CC[C@H](C(N)=O)C3)oc12
InChIInChI=1S/C17H20N2O3/c1-9-4-5-10(2)14-13(9)11(3)15(22-14)17(21)19-7-6-12(8-19)16(18)20/h4-5,12H,6-8H2,1-3H3,(H2,18,20)/t12-/m0/s1
InChIKeyDBFSWUJPUDVPDX-LBPRGKRZSA-N
XLogP2.31
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239343
morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 166191080
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119625360
2-[4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248212
(4-methylsulfonylpiperazin-1-yl)-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 47071501
[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 95736616
ethyl (2S)-2-fluoro-2-[1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)azetidin-3-yl]acetate
CID 125144131
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 129009182
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide (CID 94649811) is (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@H](C(N)=O)C3)oc12.
What is the InChIKey of (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is DBFSWUJPUDVPDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-9-4-5-10(2)14-13(9)11(3)15(22-14)17(21)19-7-6-12(8-19)16(18)20/h4-5,12H,6-8H2,1-3H3,(H2,18,20)/t12-/m0/s1.
What are the key properties of (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94649811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).