(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide

C17H23N3O2 — CID 97103014

IUPAC(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc3ccccc3o2)C1
InChIInChI=1S/C17H23N3O2/c1-3-18-17(21)20-9-8-14(11-20)19-12(2)16-10-13-6-4-5-7-15(13)22-16/h4-7,10,12,14,19H,3,8-9,11H2,1-2H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyVSGKLYJEPBSIMP-GXTWGEPZSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds4

About (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide

(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 97103014) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID97103014
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc3ccccc3o2)C1
InChIInChI=1S/C17H23N3O2/c1-3-18-17(21)20-9-8-14(11-20)19-12(2)16-10-13-6-4-5-7-15(13)22-16/h4-7,10,12,14,19H,3,8-9,11H2,1-2H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyVSGKLYJEPBSIMP-GXTWGEPZSA-N
XLogP2.89
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
1-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011259
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine
CID 97102496
N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide
CID 166532637
4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
N-ethyl-3-[1-(4-methylsulfinylphenyl)ethylamino]pyrrolidine-1-carboxamide
CID 75471423
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112553006
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427777
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide (CID 97103014) is (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc3ccccc3o2)C1.
What is the InChIKey of (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is VSGKLYJEPBSIMP-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-18-17(21)20-9-8-14(11-20)19-12(2)16-10-13-6-4-5-7-15(13)22-16/h4-7,10,12,14,19H,3,8-9,11H2,1-2H3,(H,18,21)/t12-,14+/m0/s1.
What are the key properties of (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide?
(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97103014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).