N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide

C15H23BrN2O — CID 62833060

IUPACN-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NC(CC)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(11-7-9-12(16)10-8-11)18-14(19)15(3,4)17-6-2/h7-10,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyPSKPAXFKBYXIRT-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide

N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 62833060) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID62833060
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NC(CC)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(11-7-9-12(16)10-8-11)18-14(19)15(3,4)17-6-2/h7-10,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyPSKPAXFKBYXIRT-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833393
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
2-(ethylamino)-N-[1-(2-methoxyphenyl)propyl]-2-methylpropanamide
CID 62833066
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[1-(4-tert-butylphenyl)ethyl]-2-(ethylamino)-2-methylpropanamide
CID 62833570
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
3-(4-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 2766043

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide (CID 62833060) is N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)NC(CC)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is PSKPAXFKBYXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-13(11-7-9-12(16)10-8-11)18-14(19)15(3,4)17-6-2/h7-10,13,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide?
N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62833060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).