N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide

C15H23BrN2O — CID 47123202

IUPACN-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCCC(NC(=O)CN(C)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-14(12-6-8-13(16)9-7-12)17-15(19)10-18(4)11(2)3/h6-9,11,14H,5,10H2,1-4H3,(H,17,19)
InChIKeyDTDHGGUCJISOAR-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.36
Rot. Bonds6

About N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 47123202) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID47123202
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCCC(NC(=O)CN(C)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-14(12-6-8-13(16)9-7-12)17-15(19)10-18(4)11(2)3/h6-9,11,14H,5,10H2,1-4H3,(H,17,19)
InChIKeyDTDHGGUCJISOAR-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 51252930
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895541
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841284
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 47123202) is N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide is CCC(NC(=O)CN(C)C(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is DTDHGGUCJISOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-14(12-6-8-13(16)9-7-12)17-15(19)10-18(4)11(2)3/h6-9,11,14H,5,10H2,1-4H3,(H,17,19).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 327.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 47123202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).