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

C22H28N2O3 — CID 55730052

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)C1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C22H28N2O3/c1-15(20-14-17-10-5-6-12-19(17)27-20)23-21(25)18-11-7-13-24(18)22(26)16-8-3-2-4-9-16/h5-6,10,12,14-16,18H,2-4,7-9,11,13H2,1H3,(H,23,25)
InChIKeyIGFOYYQDQRUHAV-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.18
Rot. Bonds4

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

N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 55730052) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID55730052
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)C1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C22H28N2O3/c1-15(20-14-17-10-5-6-12-19(17)27-20)23-21(25)18-11-7-13-24(18)22(26)16-8-3-2-4-9-16/h5-6,10,12,14-16,18H,2-4,7-9,11,13H2,1H3,(H,23,25)
InChIKeyIGFOYYQDQRUHAV-UHFFFAOYSA-N
XLogP4.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141438
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141437
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427777
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
1-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011259
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 55963621
N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide
CID 46696379
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202178

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (CID 55730052) is N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1C(=O)C1CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is IGFOYYQDQRUHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(20-14-17-10-5-6-12-19(17)27-20)23-21(25)18-11-7-13-24(18)22(26)16-8-3-2-4-9-16/h5-6,10,12,14-16,18H,2-4,7-9,11,13H2,1H3,(H,23,25).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55730052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).