N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide

C15H26BrN3O — CID 79668013

IUPACN-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1cc(Br)cn1CC
InChIInChI=1S/C15H26BrN3O/c1-5-7-19(11-15(3,4)10-17)14(20)13-8-12(16)9-18(13)6-2/h8-9H,5-7,10-11,17H2,1-4H3
InChIKeyFUVCQEBGVYLDMJ-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.11
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide (PubChem CID 79668013) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide
PubChem CID79668013
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1cc(Br)cn1CC
InChIInChI=1S/C15H26BrN3O/c1-5-7-19(11-15(3,4)10-17)14(20)13-8-12(16)9-18(13)6-2/h8-9H,5-7,10-11,17H2,1-4H3
InChIKeyFUVCQEBGVYLDMJ-UHFFFAOYSA-N
XLogP3.11
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
N-(3-amino-2,2-dimethylpropyl)-4-chloro-1-cyclopropyl-N-propylpyrrole-2-carboxamide
CID 79663416
4-bromo-N,N-bis(cyanomethyl)-1-ethylpyrrole-2-carboxamide
CID 43640915
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
CID 79667687
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802782
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
CID 79652794
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide
CID 79667920

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide (CID 79668013) is N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide is CCCN(CC(C)(C)CN)C(=O)c1cc(Br)cn1CC.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide?
The InChIKey is FUVCQEBGVYLDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-5-7-19(11-15(3,4)10-17)14(20)13-8-12(16)9-18(13)6-2/h8-9H,5-7,10-11,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-bromo-1-ethyl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 79668013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).