N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide

C15H26N2O2 — CID 111695963

IUPACN-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCC(C)O)c(C)n1C(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)17-11(3)9-14(13(17)5)15(19)16(6)8-7-12(4)18/h9-10,12,18H,7-8H2,1-6H3
InChIKeyLDSXETRDJFFYTD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.53
Rot. Bonds5

About N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 111695963) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID111695963
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCC(C)O)c(C)n1C(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)17-11(3)9-14(13(17)5)15(19)16(6)8-7-12(4)18/h9-10,12,18H,7-8H2,1-6H3
InChIKeyLDSXETRDJFFYTD-UHFFFAOYSA-N
XLogP2.53
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172481
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112789852
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
CID 113341456
5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 107185944
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189738
N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120649497
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 82495978
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 119997726
N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9468163

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 111695963) is N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)CCC(C)O)c(C)n1C(C)C.
What is the InChIKey of N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is LDSXETRDJFFYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)17-11(3)9-14(13(17)5)15(19)16(6)8-7-12(4)18/h9-10,12,18H,7-8H2,1-6H3.
What are the key properties of N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 111695963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).