5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide

C20H31BrN2O2 — CID 55758909

IUPAC5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
SMILESCC(C)C(CNC(=O)CCCCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C20H31BrN2O2/c1-16(2)19(23-11-13-25-14-12-23)15-22-20(24)6-4-3-5-17-7-9-18(21)10-8-17/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyYKBXHTJXPDUYEF-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.63
Rot. Bonds9

About 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide

5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide (PubChem CID 55758909) has the molecular formula C20H31BrN2O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
PubChem CID55758909
Molecular FormulaC20H31BrN2O2
Molecular Weight411.38 g/mol
Exact Mass410.16
IUPAC Name5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
SMILESCC(C)C(CNC(=O)CCCCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C20H31BrN2O2/c1-16(2)19(23-11-13-25-14-12-23)15-22-20(24)6-4-3-5-17-7-9-18(21)10-8-17/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyYKBXHTJXPDUYEF-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 18153802
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 43067318
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 55520546
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
CID 94249164
4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
CID 55519495
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
CID 119040510
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55657990
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 55520442
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide (CID 55758909) is 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide is CC(C)C(CNC(=O)CCCCc1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide?
The InChIKey is YKBXHTJXPDUYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BrN2O2/c1-16(2)19(23-11-13-25-14-12-23)15-22-20(24)6-4-3-5-17-7-9-18(21)10-8-17/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,24).
What are the key properties of 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide?
5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide has a molecular weight of 411.38 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide is sourced from PubChem (CID 55758909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).