N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide

C14H22BrN3O — CID 62833937

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C14H22BrN3O/c1-6-16-14(2,3)13(19)17-11-9-10(15)7-8-12(11)18(4)5/h7-9,16H,6H2,1-5H3,(H,17,19)
InChIKeyHUCQJWYTNKGILV-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.84
Rot. Bonds5

About N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide

N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 62833937) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID62833937
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(Br)ccc1N(C)C
InChIInChI=1S/C14H22BrN3O/c1-6-16-14(2,3)13(19)17-11-9-10(15)7-8-12(11)18(4)5/h7-9,16H,6H2,1-5H3,(H,17,19)
InChIKeyHUCQJWYTNKGILV-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
N-[5-bromo-2-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62833936
2,2,2-trifluoroethyl N-[5-bromo-2-(dimethylamino)phenyl]carbamate
CID 65173773
N-[4-(dimethylamino)-2-methylphenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833572
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
4-[5-bromo-2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992511

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide (CID 62833937) is N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1cc(Br)ccc1N(C)C.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is HUCQJWYTNKGILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-6-16-14(2,3)13(19)17-11-9-10(15)7-8-12(11)18(4)5/h7-9,16H,6H2,1-5H3,(H,17,19).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide?
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 328.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62833937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).