N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide

C24H31FN2O3 — CID 42773134

IUPACN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C1CCCC1
InChIInChI=1S/C24H31FN2O3/c1-3-14-26(24(29)20-6-4-5-7-20)17-23(28)27(16-22-13-8-18(2)30-22)15-19-9-11-21(25)12-10-19/h8-13,20H,3-7,14-17H2,1-2H3
InChIKeyGLJCQUYFDPMSAX-UHFFFAOYSA-N
MW414.52 g/mol
LogP4.68
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide

N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide (PubChem CID 42773134) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
PubChem CID42773134
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C1CCCC1
InChIInChI=1S/C24H31FN2O3/c1-3-14-26(24(29)20-6-4-5-7-20)17-23(28)27(16-22-13-8-18(2)30-22)15-19-9-11-21(25)12-10-19/h8-13,20H,3-7,14-17H2,1-2H3
InChIKeyGLJCQUYFDPMSAX-UHFFFAOYSA-N
XLogP4.68
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 5016754
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 1058347
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42773137
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 3462109
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylheptanamide
CID 4118080
4-bromo-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4088563
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510
ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
CID 5046360
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4163452
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]dodecanamide
CID 98397338
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclobutanecarboxamide
CID 1058915

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide (CID 42773134) is N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide is CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C1CCCC1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide?
The InChIKey is GLJCQUYFDPMSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-3-14-26(24(29)20-6-4-5-7-20)17-23(28)27(16-22-13-8-18(2)30-22)15-19-9-11-21(25)12-10-19/h8-13,20H,3-7,14-17H2,1-2H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide?
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide has a molecular weight of 414.52 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide is sourced from PubChem (CID 42773134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).