N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide

C27H38ClN3O3 — CID 4316990

IUPACN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide
SMILESCOCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CCCCC1)CC(C)C
InChIInChI=1S/C27H38ClN3O3/c1-21(2)16-30(27(33)20-34-3)19-26(32)31(23-11-5-4-6-12-23)18-24-13-9-15-29(24)17-22-10-7-8-14-25(22)28/h7-10,13-15,21,23H,4-6,11-12,16-20H2,1-3H3
InChIKeyMOFUADSDPGXPRG-UHFFFAOYSA-N
MW488.07 g/mol
LogP4.98
Rot. Bonds11

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

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide (PubChem CID 4316990) has the molecular formula C27H38ClN3O3 and a molecular weight of 488.07 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide
PubChem CID4316990
Molecular FormulaC27H38ClN3O3
Molecular Weight488.07 g/mol
Exact Mass487.26
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide
SMILESCOCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CCCCC1)CC(C)C
InChIInChI=1S/C27H38ClN3O3/c1-21(2)16-30(27(33)20-34-3)19-26(32)31(23-11-5-4-6-12-23)18-24-13-9-15-29(24)17-22-10-7-8-14-25(22)28/h7-10,13-15,21,23H,4-6,11-12,16-20H2,1-3H3
InChIKeyMOFUADSDPGXPRG-UHFFFAOYSA-N
XLogP4.98
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.07
LogP ≤ 54.98
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]-4-methyl-N-(2-methylpropyl)benzamide
CID 5034509
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 5219792
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3951622
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
CID 42769465
3-chloro-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2,2-dimethyl-N-(3-methylbutyl)propanamide
CID 3929952
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 3536438
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-cyclohexylacetamide
CID 810247
2-[butan-2-yl-[(2-methoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 42769487
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-4-ethyl-N-propan-2-ylbenzamide
CID 4261935
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylhexanamide
CID 5176645
2-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 3996295

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide (CID 4316990) is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide is COCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CCCCC1)CC(C)C.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?
The InChIKey is MOFUADSDPGXPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38ClN3O3/c1-21(2)16-30(27(33)20-34-3)19-26(32)31(23-11-5-4-6-12-23)18-24-13-9-15-29(24)17-22-10-7-8-14-25(22)28/h7-10,13-15,21,23H,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-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 488.07 g/mol, XLogP of 4.98, 11 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-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 4316990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).