3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide

C16H24BrN3O2 — CID 60505858

IUPAC3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
SMILESCCCN(CCC(=O)NC(=O)NC)C(C)c1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-4-10-20(11-9-15(21)19-16(22)18-3)12(2)13-7-5-6-8-14(13)17/h5-8,12H,4,9-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyZDBPGDKCQWDGIQ-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.07
Rot. Bonds7

About 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide

3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 60505858) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
PubChem CID60505858
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
SMILESCCCN(CCC(=O)NC(=O)NC)C(C)c1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-4-10-20(11-9-15(21)19-16(22)18-3)12(2)13-7-5-6-8-14(13)17/h5-8,12H,4,9-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyZDBPGDKCQWDGIQ-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 60505976
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 60505919
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 119036501
3-[[1-(2-bromophenyl)ethyl-propylamino]methyl]-N,N-dimethylbenzamide
CID 55988852
N-[1-(2-bromophenyl)ethyl]-3-methylsulfonyl-N-propylpropanamide
CID 87025496
N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide
CID 63716493
2-[1-(2-bromophenyl)ethyl-propylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60505775
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide (CID 60505858) is 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide is CCCN(CCC(=O)NC(=O)NC)C(C)c1ccccc1Br.
What is the InChIKey of 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is ZDBPGDKCQWDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-4-10-20(11-9-15(21)19-16(22)18-3)12(2)13-7-5-6-8-14(13)17/h5-8,12H,4,9-11H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide?
3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 370.29 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60505858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).