N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide

C19H29BrN2O2 — CID 56538297

IUPACN-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C19H29BrN2O2/c1-4-13-22(14-5-2)19(24)8-6-7-18(23)21(3)15-16-9-11-17(20)12-10-16/h9-12H,4-8,13-15H2,1-3H3
InChIKeyPKXBERIVPDDJHS-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.23
Rot. Bonds10

About N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide

N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide (PubChem CID 56538297) has the molecular formula C19H29BrN2O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
PubChem CID56538297
Molecular FormulaC19H29BrN2O2
Molecular Weight397.36 g/mol
Exact Mass396.14
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C19H29BrN2O2/c1-4-13-22(14-5-2)19(24)8-6-7-18(23)21(3)15-16-9-11-17(20)12-10-16/h9-12H,4-8,13-15H2,1-3H3
InChIKeyPKXBERIVPDDJHS-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
CID 56540605
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56550163
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-benzyl-N-methylpentanamide
CID 4629611
5-[[4-(dimethylamino)phenyl]methyl-methylamino]-5-oxopentanoic acid
CID 60953988
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
CID 60655942
N-[4-[(4-bromophenyl)methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 78802835

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide (CID 56538297) is N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide?
The InChIKey is PKXBERIVPDDJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2/c1-4-13-22(14-5-2)19(24)8-6-7-18(23)21(3)15-16-9-11-17(20)12-10-16/h9-12H,4-8,13-15H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide?
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide has a molecular weight of 397.36 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56538297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).