N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

C24H37FN4O4 — CID 23819307

IUPACN-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCCN(Cc1ccc(F)cc1)C1CC(C(=O)NC2CCC(N)CC2)N(C(=O)COC)C1
InChIInChI=1S/C24H37FN4O4/c1-32-12-11-28(14-17-3-5-18(25)6-4-17)21-13-22(29(15-21)23(30)16-33-2)24(31)27-20-9-7-19(26)8-10-20/h3-6,19-22H,7-16,26H2,1-2H3,(H,27,31)
InChIKeyFIPUFOWMTOFVDF-UHFFFAOYSA-N
MW464.58 g/mol
LogP1.28
Rot. Bonds10

About N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 23819307) has the molecular formula C24H37FN4O4 and a molecular weight of 464.58 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID23819307
Molecular FormulaC24H37FN4O4
Molecular Weight464.58 g/mol
Exact Mass464.28
IUPAC NameN-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCCN(Cc1ccc(F)cc1)C1CC(C(=O)NC2CCC(N)CC2)N(C(=O)COC)C1
InChIInChI=1S/C24H37FN4O4/c1-32-12-11-28(14-17-3-5-18(25)6-4-17)21-13-22(29(15-21)23(30)16-33-2)24(31)27-20-9-7-19(26)8-10-20/h3-6,19-22H,7-16,26H2,1-2H3,(H,27,31)
InChIKeyFIPUFOWMTOFVDF-UHFFFAOYSA-N
XLogP1.28
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]piperidine-2-carboxamide
CID 23933944
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23989110
N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]pyrrolidine-2-carboxamide
CID 23796494
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23793454
(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23762319
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
CID 23734948
(2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-phenylethyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
CID 23761837
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23908203
N-(4-aminocyclohexyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23876008
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(2-phenylethyl)amino]pyrrolidine-2-carboxamide
CID 23988309
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
CID 23795951
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (CID 23819307) is N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is COCCN(Cc1ccc(F)cc1)C1CC(C(=O)NC2CCC(N)CC2)N(C(=O)COC)C1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is FIPUFOWMTOFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN4O4/c1-32-12-11-28(14-17-3-5-18(25)6-4-17)21-13-22(29(15-21)23(30)16-33-2)24(31)27-20-9-7-19(26)8-10-20/h3-6,19-22H,7-16,26H2,1-2H3,(H,27,31).
What are the key properties of N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 464.58 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 23819307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).