N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide

C20H27N3O3 — CID 5059734

IUPACN-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)C2CCCC2)C2CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-14-6-8-16(9-7-14)22-18(24)12-21-19(25)13-23(17-10-11-17)20(26)15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyRBASDPHOAZRZPG-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.23
Rot. Bonds7

About N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide

N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 5059734) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID5059734
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)C2CCCC2)C2CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-14-6-8-16(9-7-14)22-18(24)12-21-19(25)13-23(17-10-11-17)20(26)15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyRBASDPHOAZRZPG-UHFFFAOYSA-N
XLogP2.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 42770719
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 3630731
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4615707
4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4601773
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 5087238

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide (CID 5059734) is N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)CNC(=O)CN(C(=O)C2CCCC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is RBASDPHOAZRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-6-8-16(9-7-14)22-18(24)12-21-19(25)13-23(17-10-11-17)20(26)15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 5059734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).