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

C24H29FN2O3 — CID 1058347

IUPACN-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CCCC2)C2CC2)o1
InChIInChI=1S/C24H29FN2O3/c1-17-6-13-22(30-17)15-26(14-18-7-9-20(25)10-8-18)23(28)16-27(21-11-12-21)24(29)19-4-2-3-5-19/h6-10,13,19,21H,2-5,11-12,14-16H2,1H3
InChIKeyZNIAWSMJYZKXGV-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.44
Rot. Bonds8

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

N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 1058347) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID1058347
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC NameN-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CCCC2)C2CC2)o1
InChIInChI=1S/C24H29FN2O3/c1-17-6-13-22(30-17)15-26(14-18-7-9-20(25)10-8-18)23(28)16-27(21-11-12-21)24(29)19-4-2-3-5-19/h6-10,13,19,21H,2-5,11-12,14-16H2,1H3
InChIKeyZNIAWSMJYZKXGV-UHFFFAOYSA-N
XLogP4.44
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.44
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-cyclopropylcyclobutanecarboxamide
CID 1058915
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42773134
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 3462109
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42773137
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 5016754
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 3543106
N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 1028646
N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3610810
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 5041484
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5103992
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 3671558

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide (CID 1058347) is N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CCCC2)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is ZNIAWSMJYZKXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-17-6-13-22(30-17)15-26(14-18-7-9-20(25)10-8-18)23(28)16-27(21-11-12-21)24(29)19-4-2-3-5-19/h6-10,13,19,21H,2-5,11-12,14-16H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 412.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 1058347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).