2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

C11H18N2O — CID 110695748

IUPAC2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCCC(C)C
InChIInChI=1S/C11H18N2O/c1-8(2)4-6-13-11(14)10-5-7-12-9(10)3/h5,7-8,12H,4,6H2,1-3H3,(H,13,14)
InChIKeyUQZDHVFUJZXQNA-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide (PubChem CID 110695748) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
PubChem CID110695748
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCCC(C)C
InChIInChI=1S/C11H18N2O/c1-8(2)4-6-13-11(14)10-5-7-12-9(10)3/h5,7-8,12H,4,6H2,1-3H3,(H,13,14)
InChIKeyUQZDHVFUJZXQNA-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 130678662
N-(cyanomethyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 130645768
N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 99828673
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110691119
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
CID 134132713
5-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 55083223

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide (CID 110695748) is 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NCCC(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
The InChIKey is UQZDHVFUJZXQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)4-6-13-11(14)10-5-7-12-9(10)3/h5,7-8,12H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110695748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).