N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide

C22H40N2O2 — CID 42759885

IUPACN-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCOC)Cc1cccn1C
InChIInChI=1S/C22H40N2O2/c1-4-5-6-7-8-9-10-11-12-16-22(25)24(18-14-19-26-3)20-21-15-13-17-23(21)2/h13,15,17H,4-12,14,16,18-20H2,1-3H3
InChIKeyQGPCDKIBAFVEOV-UHFFFAOYSA-N
MW364.57 g/mol
LogP5.31
Rot. Bonds16

About N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide

N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide (PubChem CID 42759885) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
PubChem CID42759885
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC NameN-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCOC)Cc1cccn1C
InChIInChI=1S/C22H40N2O2/c1-4-5-6-7-8-9-10-11-12-16-22(25)24(18-14-19-26-3)20-21-15-13-17-23(21)2/h13,15,17H,4-12,14,16,18-20H2,1-3H3
InChIKeyQGPCDKIBAFVEOV-UHFFFAOYSA-N
XLogP5.31
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 3502612
4-butoxy-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5184759
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
N-butyl-2-[(2,6-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3650207
3-bromo-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 3985502
ethyl 2-[[[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-(3-methoxypropyl)carbamoyl]amino]acetate
CID 3650209
N-butyl-2-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3650210
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3373531
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 5135866
N-butyl-2-[(2,3-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3476329

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide?
The IUPAC name of N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide (CID 42759885) is N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide is CCCCCCCCCCCC(=O)N(CCCOC)Cc1cccn1C.
What is the InChIKey of N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide?
The InChIKey is QGPCDKIBAFVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-4-5-6-7-8-9-10-11-12-16-22(25)24(18-14-19-26-3)20-21-15-13-17-23(21)2/h13,15,17H,4-12,14,16,18-20H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide?
N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide has a molecular weight of 364.57 g/mol, XLogP of 5.31, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide is sourced from PubChem (CID 42759885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).