N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide

C26H41N3O3 — CID 3458487

IUPACN-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H41N3O3/c1-4-5-9-29(25(31)26-15-20-12-21(16-26)14-22(13-20)17-26)19-24(30)28(10-11-32-3)18-23-7-6-8-27(23)2/h6-8,20-22H,4-5,9-19H2,1-3H3
InChIKeyZWTORFITSACGCT-UHFFFAOYSA-N
MW443.63 g/mol
LogP3.85
Rot. Bonds11

About N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide

N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 3458487) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID3458487
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC NameN-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H41N3O3/c1-4-5-9-29(25(31)26-15-20-12-21(16-26)14-22(13-20)17-26)19-24(30)28(10-11-32-3)18-23-7-6-8-27(23)2/h6-8,20-22H,4-5,9-19H2,1-3H3
InChIKeyZWTORFITSACGCT-UHFFFAOYSA-N
XLogP3.85
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide
CID 3470334
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 4018856
trans-(1R,2R)-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 11897723
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
2-[butyl(phenylcarbamoyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3460069
N-butyl-4-methoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4289174
N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
CID 42759885
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3490295
4-butoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5184759
2-[butyl-[(2-ethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3365022

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide (CID 3458487) is N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide is CCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is ZWTORFITSACGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-4-5-9-29(25(31)26-15-20-12-21(16-26)14-22(13-20)17-26)19-24(30)28(10-11-32-3)18-23-7-6-8-27(23)2/h6-8,20-22H,4-5,9-19H2,1-3H3.
What are the key properties of N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 443.63 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 3458487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).