N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide

C27H33N3O4 — CID 42767428

IUPACN-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C27H33N3O4/c1-28-15-7-10-24(28)20-30(19-23-8-5-4-6-9-23)27(32)21-29(16-17-33-2)26(31)18-22-11-13-25(34-3)14-12-22/h4-15H,16-21H2,1-3H3
InChIKeyFHICHULXIFTTBB-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.28
Rot. Bonds12

About N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide

N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 42767428) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID42767428
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C27H33N3O4/c1-28-15-7-10-24(28)20-30(19-23-8-5-4-6-9-23)27(32)21-29(16-17-33-2)26(31)18-22-11-13-25(34-3)14-12-22/h4-15H,16-21H2,1-3H3
InChIKeyFHICHULXIFTTBB-UHFFFAOYSA-N
XLogP3.28
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3903306
ethyl 4-[[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-4-oxobutanoate
CID 3919355
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-methylpropyl)acetamide
CID 4283219
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 42767969
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 4011712
N-butyl-4-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4289174
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42663070
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3290612
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 42767866
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3395331
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclobutanecarboxamide
CID 3991241
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767512

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide (CID 42767428) is N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is FHICHULXIFTTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-28-15-7-10-24(28)20-30(19-23-8-5-4-6-9-23)27(32)21-29(16-17-33-2)26(31)18-22-11-13-25(34-3)14-12-22/h4-15H,16-21H2,1-3H3.
What are the key properties of N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 463.58 g/mol, XLogP of 3.28, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42767428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).