N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C14H24N2O2 — CID 110698914

IUPACN-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C14H24N2O2/c1-10(2)16-11(3)9-13(12(16)4)14(17)15-7-6-8-18-5/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKeyGTXUVGASMWDAEO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.45
Rot. Bonds6

About N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 110698914) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID110698914
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C14H24N2O2/c1-10(2)16-11(3)9-13(12(16)4)14(17)15-7-6-8-18-5/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKeyGTXUVGASMWDAEO-UHFFFAOYSA-N
XLogP2.45
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.45
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

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone
CID 110653995
N-(3-methoxypropyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7709094
1-(4-bromophenyl)-N-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55532311
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189738
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110889489
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110002937
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
N-(2,2-diphenylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 18208847
N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110909012
ethyl 4-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]butanoate
CID 78852531
4-[[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542073
2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide
CID 47268064

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 110698914) is N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is COCCCNC(=O)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is GTXUVGASMWDAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16-11(3)9-13(12(16)4)14(17)15-7-6-8-18-5/h9-10H,6-8H2,1-5H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 110698914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).