N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide

C15H27N3O — CID 42767351

IUPACN-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCCCCN(Cc1cccn1C)C(=O)CNC(C)C
InChIInChI=1S/C15H27N3O/c1-5-6-10-18(15(19)11-16-13(2)3)12-14-8-7-9-17(14)4/h7-9,13,16H,5-6,10-12H2,1-4H3
InChIKeyUBFHAEULTNSMHB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds8

About N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide

N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 42767351) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID42767351
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCCCCN(Cc1cccn1C)C(=O)CNC(C)C
InChIInChI=1S/C15H27N3O/c1-5-6-10-18(15(19)11-16-13(2)3)12-14-8-7-9-17(14)4/h7-9,13,16H,5-6,10-12H2,1-4H3
InChIKeyUBFHAEULTNSMHB-UHFFFAOYSA-N
XLogP2.15
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(butan-2-yl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767446
2-[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7286478
(3S)-N-butyl-3,5,5-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 7439098
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 3502612
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 42767360
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
2-[butyl(ethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3601596
N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 3647212
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 3309616
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
(2R)-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-N-(3-ethoxypropyl)propanamide
CID 7348081
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 42767351) is N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide is CCCCN(Cc1cccn1C)C(=O)CNC(C)C.
What is the InChIKey of N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is UBFHAEULTNSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-6-10-18(15(19)11-16-13(2)3)12-14-8-7-9-17(14)4/h7-9,13,16H,5-6,10-12H2,1-4H3.
What are the key properties of N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 42767351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).