N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide

C26H37ClN4O3 — CID 42769465

IUPACN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C26H37ClN4O3/c1-28(2)26(33)30(16-17-34-3)20-25(32)31(22-11-5-4-6-12-22)19-23-13-9-15-29(23)18-21-10-7-8-14-24(21)27/h7-10,13-15,22H,4-6,11-12,16-20H2,1-3H3
InChIKeyFXGROHXXEKMBJL-UHFFFAOYSA-N
MW489.06 g/mol
LogP4.48
Rot. Bonds10

About N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide (PubChem CID 42769465) has the molecular formula C26H37ClN4O3 and a molecular weight of 489.06 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
PubChem CID42769465
Molecular FormulaC26H37ClN4O3
Molecular Weight489.06 g/mol
Exact Mass488.26
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C26H37ClN4O3/c1-28(2)26(33)30(16-17-34-3)20-25(32)31(22-11-5-4-6-12-22)19-23-13-9-15-29(23)18-21-10-7-8-14-24(21)27/h7-10,13-15,22H,4-6,11-12,16-20H2,1-3H3
InChIKeyFXGROHXXEKMBJL-UHFFFAOYSA-N
XLogP4.48
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.06
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 3536438
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide
CID 4316990
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3951622
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 4044130
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 810247
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-cyclopentylpropanamide
CID 4010761
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-4-chloro-N-(2-methoxyethyl)benzamide
CID 4619179
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3276001
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-methoxyphenyl)urea
CID 5014615
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylhexanamide
CID 5176645
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 1198569
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 4562624

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide (CID 42769465) is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide is COCCN(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CCCCC1)C(=O)N(C)C.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide?
The InChIKey is FXGROHXXEKMBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37ClN4O3/c1-28(2)26(33)30(16-17-34-3)20-25(32)31(22-11-5-4-6-12-22)19-23-13-9-15-29(23)18-21-10-7-8-14-24(21)27/h7-10,13-15,22H,4-6,11-12,16-20H2,1-3H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide?
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide has a molecular weight of 489.06 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 42769465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).