N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide

C15H23BrN2O — CID 112723289

IUPACN-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
SMILESCCC(NC(=O)CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(11-6-8-12(16)9-7-11)18-14(19)10-17-15(2,3)4/h6-9,13,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyWXANBDAFGGNYET-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide

N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide (PubChem CID 112723289) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
PubChem CID112723289
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
SMILESCCC(NC(=O)CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(11-6-8-12(16)9-7-11)18-14(19)10-17-15(2,3)4/h6-9,13,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyWXANBDAFGGNYET-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 78912710
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833060
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123202
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
CID 9263209
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide (CID 112723289) is N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide is CCC(NC(=O)CNC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide?
The InChIKey is WXANBDAFGGNYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-13(11-6-8-12(16)9-7-11)18-14(19)10-17-15(2,3)4/h6-9,13,17H,5,10H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide?
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide has a molecular weight of 327.27 g/mol, XLogP of 3.40, 5 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-(tert-butylamino)acetamide is sourced from PubChem (CID 112723289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).