N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H20N2O3 — CID 111427777

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1CO)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-11(15-9-12-5-2-3-7-14(12)21-15)17-16(20)18-8-4-6-13(18)10-19/h2-3,5,7,9,11,13,19H,4,6,8,10H2,1H3,(H,17,20)
InChIKeyDYBGMMCMQFTHJZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.66
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111427777) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111427777
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1CO)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-11(15-9-12-5-2-3-7-14(12)21-15)17-16(20)18-8-4-6-13(18)10-19/h2-3,5,7,9,11,13,19H,4,6,8,10H2,1H3,(H,17,20)
InChIKeyDYBGMMCMQFTHJZ-UHFFFAOYSA-N
XLogP2.66
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55730052
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141437
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141438
1-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011259
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
ethyl (3R)-1-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561364
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111427777) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1CO)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is DYBGMMCMQFTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(15-9-12-5-2-3-7-14(12)21-15)17-16(20)18-8-4-6-13(18)10-19/h2-3,5,7,9,11,13,19H,4,6,8,10H2,1H3,(H,17,20).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).