N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide

C15H26N2O — CID 3647212

IUPACN-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCCCCN(Cc1cccn1C)C(=O)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-6-7-11-17(14(18)15(2,3)4)12-13-9-8-10-16(13)5/h8-10H,6-7,11-12H2,1-5H3
InChIKeyUFSXLFVDBZDEPF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.20
Rot. Bonds5

About N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide

N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide (PubChem CID 3647212) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide
PubChem CID3647212
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCCCCN(Cc1cccn1C)C(=O)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-6-7-11-17(14(18)15(2,3)4)12-13-9-8-10-16(13)5/h8-10H,6-7,11-12H2,1-5H3
InChIKeyUFSXLFVDBZDEPF-UHFFFAOYSA-N
XLogP3.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-2,2-dimethylpropanamide
CID 3651106
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-propylpropanamide
CID 3398275
4-bromo-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42760015
(3S)-N-butyl-3,5,5-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 7439098
2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3337711
N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 42767351
2-[acetyl(butan-2-yl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767446
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 4675917
3-bromo-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4661017
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 3502612
N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
CID 42759885

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The IUPAC name of N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide (CID 3647212) is N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide.
What is the SMILES notation for N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The canonical SMILES for N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide is CCCCN(Cc1cccn1C)C(=O)C(C)(C)C.
What is the InChIKey of N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The InChIKey is UFSXLFVDBZDEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-7-11-17(14(18)15(2,3)4)12-13-9-8-10-16(13)5/h8-10H,6-7,11-12H2,1-5H3.
What are the key properties of N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide has a molecular weight of 250.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]propanamide is sourced from PubChem (CID 3647212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).