2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide

C16H22BrNO4 — CID 143097102

IUPAC2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide
SMILESCOCCN(C=O)C(=O)C(Br)CCCc1ccc(OC)cc1
InChIInChI=1S/C16H22BrNO4/c1-21-11-10-18(12-19)16(20)15(17)5-3-4-13-6-8-14(22-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyAVGOEVSYQUTHFG-UHFFFAOYSA-N
MW372.26 g/mol
LogP2.41
Rot. Bonds10

About 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide

2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide (PubChem CID 143097102) has the molecular formula C16H22BrNO4 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide
PubChem CID143097102
Molecular FormulaC16H22BrNO4
Molecular Weight372.26 g/mol
Exact Mass371.07
IUPAC Name2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide
SMILESCOCCN(C=O)C(=O)C(Br)CCCc1ccc(OC)cc1
InChIInChI=1S/C16H22BrNO4/c1-21-11-10-18(12-19)16(20)15(17)5-3-4-13-6-8-14(22-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyAVGOEVSYQUTHFG-UHFFFAOYSA-N
XLogP2.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
N-formyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]pentanamide
CID 166118272
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 113469211
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
2-[3-(4-methoxyphenyl)propyl]butanedioic acid
CID 54505508
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
N-(3-aminopropyl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 63287501
ethane;N-formyl-3-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methoxyphenyl)methyl]cyclohepta-1,3,5-triene-1-carboxamide
CID 143307631
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene
CID 167114293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide (CID 143097102) is 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide is COCCN(C=O)C(=O)C(Br)CCCc1ccc(OC)cc1.
What is the InChIKey of 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide?
The InChIKey is AVGOEVSYQUTHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO4/c1-21-11-10-18(12-19)16(20)15(17)5-3-4-13-6-8-14(22-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide?
2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide has a molecular weight of 372.26 g/mol, XLogP of 2.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-formyl-N-(2-methoxyethyl)-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 143097102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).