3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide

C15H22BrN3O2 — CID 60547111

IUPAC3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-3-9-17-14(20)8-10-18-15(21)19(2)11-12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDHOFWPCPZYYEPJ-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.51
Rot. Bonds7

About 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide

3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide (PubChem CID 60547111) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide
PubChem CID60547111
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-3-9-17-14(20)8-10-18-15(21)19(2)11-12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDHOFWPCPZYYEPJ-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
5-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686336
1-[(4-aminophenyl)methyl]-3-butyl-1-methylurea
CID 43458216
3-[[N-[(4-ethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111274742
N-benzyl-3-[[N-[(4-bromophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111292802
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid
CID 119192368
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
N-[(4-bromophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618727

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide (CID 60547111) is 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide?
The InChIKey is DHOFWPCPZYYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-3-9-17-14(20)8-10-18-15(21)19(2)11-12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide?
3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide has a molecular weight of 356.26 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 60547111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).