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

C15H25N3O — CID 7225632

IUPAC2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCNCC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C15H25N3O/c1-3-4-9-16-11-15(19)18(13-7-8-13)12-14-6-5-10-17(14)2/h5-6,10,13,16H,3-4,7-9,11-12H2,1-2H3
InChIKeyIYHSNWCFISXTFZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.91
Rot. Bonds8

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

2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 7225632) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID7225632
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCCNCC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C15H25N3O/c1-3-4-9-16-11-15(19)18(13-7-8-13)12-14-6-5-10-17(14)2/h5-6,10,13,16H,3-4,7-9,11-12H2,1-2H3
InChIKeyIYHSNWCFISXTFZ-UHFFFAOYSA-N
XLogP1.91
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
2-[butylcarbamoyl(2-methylpropyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4534956
[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
CID 7261327
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 42770766
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-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
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-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 42770764
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 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 7225632) is 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCCNCC(=O)N(Cc1cccn1C)C1CC1.
What is the InChIKey of 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is IYHSNWCFISXTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-9-16-11-15(19)18(13-7-8-13)12-14-6-5-10-17(14)2/h5-6,10,13,16H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 7225632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).