N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide

C14H22BrN3O2 — CID 60956302

IUPACN-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H22BrN3O2/c1-4-5-6-17(9-13(16)19)14(20)12-7-11(15)8-18(12)10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H2,16,19)
InChIKeyHLSVYFCAHFRETQ-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.56
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide

N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60956302) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60956302
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC NameN-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H22BrN3O2/c1-4-5-6-17(9-13(16)19)14(20)12-7-11(15)8-18(12)10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H2,16,19)
InChIKeyHLSVYFCAHFRETQ-UHFFFAOYSA-N
XLogP2.56
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536
4-bromo-N-methyl-N-pentan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 43641769
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115772438
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
4-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-methylamino]butanoic acid
CID 43640140
4-bromo-N-heptan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 55222608
4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60954917
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide (CID 60956302) is N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide is CCCCN(CC(N)=O)C(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is HLSVYFCAHFRETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-5-6-17(9-13(16)19)14(20)12-7-11(15)8-18(12)10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide?
N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60956302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).