N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide

C21H31BrN2O2 — CID 56539357

IUPACN'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C21H31BrN2O2/c1-3-13-23(14-4-2)20(25)9-6-10-21(26)24(19-11-12-19)16-17-7-5-8-18(22)15-17/h5,7-8,15,19H,3-4,6,9-14,16H2,1-2H3
InChIKeyOYSWDKCLSIOKKN-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.76
Rot. Bonds11

About N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide

N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide (PubChem CID 56539357) has the molecular formula C21H31BrN2O2 and a molecular weight of 423.40 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
PubChem CID56539357
Molecular FormulaC21H31BrN2O2
Molecular Weight423.40 g/mol
Exact Mass422.16
IUPAC NameN'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C21H31BrN2O2/c1-3-13-23(14-4-2)20(25)9-6-10-21(26)24(19-11-12-19)16-17-7-5-8-18(22)15-17/h5,7-8,15,19H,3-4,6,9-14,16H2,1-2H3
InChIKeyOYSWDKCLSIOKKN-UHFFFAOYSA-N
XLogP4.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
CID 56538526
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
CID 119715240
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55912619
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
CID 107909347
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 52572835
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715258
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
CID 119824771

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide?
The IUPAC name of N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide (CID 56539357) is N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide?
The canonical SMILES for N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide?
The InChIKey is OYSWDKCLSIOKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31BrN2O2/c1-3-13-23(14-4-2)20(25)9-6-10-21(26)24(19-11-12-19)16-17-7-5-8-18(22)15-17/h5,7-8,15,19H,3-4,6,9-14,16H2,1-2H3.
What are the key properties of N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide?
N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide has a molecular weight of 423.40 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide is sourced from PubChem (CID 56539357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).