N-dodecyl-1H-pyrrole-3-carboxamide

C17H30N2O — CID 175440908

IUPACN-dodecyl-1H-pyrrole-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc[nH]c1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-13-19-17(20)16-12-14-18-15-16/h12,14-15,18H,2-11,13H2,1H3,(H,19,20)
InChIKeySKXLXOCHQCOOOC-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.67
Rot. Bonds12

About N-dodecyl-1H-pyrrole-3-carboxamide

N-dodecyl-1H-pyrrole-3-carboxamide (PubChem CID 175440908) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-dodecyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-dodecyl-1H-pyrrole-3-carboxamide
PubChem CID175440908
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-dodecyl-1H-pyrrole-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc[nH]c1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-13-19-17(20)16-12-14-18-15-16/h12,14-15,18H,2-11,13H2,1H3,(H,19,20)
InChIKeySKXLXOCHQCOOOC-UHFFFAOYSA-N
XLogP4.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-hexylpyridine-4-carboxamide
CID 3423732
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-dodecyl-1H-pyrrole-3-carboxamide (CID 175440908) is N-dodecyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-dodecyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-dodecyl-1H-pyrrole-3-carboxamide is CCCCCCCCCCCCNC(=O)c1cc[nH]c1.
What is the InChIKey of N-dodecyl-1H-pyrrole-3-carboxamide?
The InChIKey is SKXLXOCHQCOOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-13-19-17(20)16-12-14-18-15-16/h12,14-15,18H,2-11,13H2,1H3,(H,19,20).
What are the key properties of N-dodecyl-1H-pyrrole-3-carboxamide?
N-dodecyl-1H-pyrrole-3-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 4.67, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 175440908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).