N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide

C20H29N3O2 — CID 4787565

IUPACN-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-15-13-17(23-11-5-6-12-23)9-10-18(15)22-19(24)14-21-20(25)16-7-3-2-4-8-16/h9-10,13,16H,2-8,11-12,14H2,1H3,(H,21,25)(H,22,24)
InChIKeyNEZWZMQCTBUHST-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4787565) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4787565
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-15-13-17(23-11-5-6-12-23)9-10-18(15)22-19(24)14-21-20(25)16-7-3-2-4-8-16/h9-10,13,16H,2-8,11-12,14H2,1H3,(H,21,25)(H,22,24)
InChIKeyNEZWZMQCTBUHST-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-methylbenzoate
CID 6957790
3,5-dimethyl-N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 42039688
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 110899279
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 51135124
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 26052656
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide (CID 4787565) is N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is NEZWZMQCTBUHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-13-17(23-11-5-6-12-23)9-10-18(15)22-19(24)14-21-20(25)16-7-3-2-4-8-16/h9-10,13,16H,2-8,11-12,14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4787565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).