N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide

C17H28N2O — CID 4041529

IUPACN-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
SMILESCCCCCCCC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-10-17(20)19(15-11-12-15)14-16-9-8-13-18(16)2/h8-9,13,15H,3-7,10-12,14H2,1-2H3
InChIKeyMIDAXUDSOGFGLE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.88
Rot. Bonds9

About N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide

N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide (PubChem CID 4041529) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
PubChem CID4041529
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
SMILESCCCCCCCC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-10-17(20)19(15-11-12-15)14-16-9-8-13-18(16)2/h8-9,13,15H,3-7,10-12,14H2,1-2H3
InChIKeyMIDAXUDSOGFGLE-UHFFFAOYSA-N
XLogP3.88
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 42770766
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
CID 5106815
2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7225632
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
CID 7261327
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 4675917
N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
CID 42759885
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 4569651
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 3473022
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pentanamide
CID 10750888
4-butyl-N-cyclohexyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4042196

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide (CID 4041529) is N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide is CCCCCCCC(=O)N(Cc1cccn1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide?
The InChIKey is MIDAXUDSOGFGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-6-7-10-17(20)19(15-11-12-15)14-16-9-8-13-18(16)2/h8-9,13,15H,3-7,10-12,14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide?
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide has a molecular weight of 276.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide is sourced from PubChem (CID 4041529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).