N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide

C22H30N2O2 — CID 110312900

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCC(c1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-17(2)19(18-9-4-3-5-10-18)15-22(25)23-16-20(21-11-8-14-26-21)24-12-6-7-13-24/h3-5,8-11,14,17,19-20H,6-7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyCDOHWKFABOCPIZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.36
Rot. Bonds8

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide (PubChem CID 110312900) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
PubChem CID110312900
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCC(c1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-17(2)19(18-9-4-3-5-10-18)15-22(25)23-16-20(21-11-8-14-26-21)24-12-6-7-13-24/h3-5,8-11,14,17,19-20H,6-7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyCDOHWKFABOCPIZ-UHFFFAOYSA-N
XLogP4.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
(2R)-2-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 94956250
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430213
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide (CID 110312900) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide is CC(C)C(CC(=O)NCC(c1ccco1)N1CCCC1)c1ccccc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide?
The InChIKey is CDOHWKFABOCPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(2)19(18-9-4-3-5-10-18)15-22(25)23-16-20(21-11-8-14-26-21)24-12-6-7-13-24/h3-5,8-11,14,17,19-20H,6-7,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide has a molecular weight of 354.49 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 110312900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).