N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide

C20H28N4O2 — CID 50982014

IUPACN-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCCCc1nc(CN(C)C(=O)C2(Nc3ccc(C)cc3)CCCC2)no1
InChIInChI=1S/C20H28N4O2/c1-4-7-18-21-17(23-26-18)14-24(3)19(25)20(12-5-6-13-20)22-16-10-8-15(2)9-11-16/h8-11,22H,4-7,12-14H2,1-3H3
InChIKeyRVFKFXXSXTZQEP-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.71
Rot. Bonds7

About N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide

N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 50982014) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID50982014
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCCCc1nc(CN(C)C(=O)C2(Nc3ccc(C)cc3)CCCC2)no1
InChIInChI=1S/C20H28N4O2/c1-4-7-18-21-17(23-26-18)14-24(3)19(25)20(12-5-6-13-20)22-16-10-8-15(2)9-11-16/h8-11,22H,4-7,12-14H2,1-3H3
InChIKeyRVFKFXXSXTZQEP-UHFFFAOYSA-N
XLogP3.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 50982014) is N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide is CCCc1nc(CN(C)C(=O)C2(Nc3ccc(C)cc3)CCCC2)no1.
What is the InChIKey of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is RVFKFXXSXTZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-7-18-21-17(23-26-18)14-24(3)19(25)20(12-5-6-13-20)22-16-10-8-15(2)9-11-16/h8-11,22H,4-7,12-14H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 50982014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).