4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide

C14H22BrN3O3 — CID 60956181

IUPAC4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CC(=O)NCCCOC
InChIInChI=1S/C14H22BrN3O3/c1-4-18-9-11(15)8-12(18)14(20)17(2)10-13(19)16-6-5-7-21-3/h8-9H,4-7,10H2,1-3H3,(H,16,19)
InChIKeyZXEZPKDSWIWUAF-UHFFFAOYSA-N
MW360.25 g/mol
LogP1.50
Rot. Bonds8

About 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide

4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide (PubChem CID 60956181) has the molecular formula C14H22BrN3O3 and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
PubChem CID60956181
Molecular FormulaC14H22BrN3O3
Molecular Weight360.25 g/mol
Exact Mass359.08
IUPAC Name4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CC(=O)NCCCOC
InChIInChI=1S/C14H22BrN3O3/c1-4-18-9-11(15)8-12(18)14(20)17(2)10-13(19)16-6-5-7-21-3/h8-9H,4-7,10H2,1-3H3,(H,16,19)
InChIKeyZXEZPKDSWIWUAF-UHFFFAOYSA-N
XLogP1.50
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
4-bromo-1-ethyl-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 54878062
4-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-propylpyrrole-2-carboxamide
CID 43641605
4-bromo-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-2-carboxamide
CID 103636124
4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62378773
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
4-amino-1-ethyl-N-(3-methoxypropyl)-N-methylpyrrole-2-carboxamide
CID 62984457
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354607

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide (CID 60956181) is 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)CC(=O)NCCCOC.
What is the InChIKey of 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is ZXEZPKDSWIWUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O3/c1-4-18-9-11(15)8-12(18)14(20)17(2)10-13(19)16-6-5-7-21-3/h8-9H,4-7,10H2,1-3H3,(H,16,19).
What are the key properties of 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 360.25 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60956181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).