N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide

C14H20BrNO2 — CID 112728025

IUPACN-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
SMILESCCOCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-18-10-6-9-14(17)16(2)11-12-7-4-5-8-13(12)15/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyQYXQUIFDNDVZRH-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.22
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide

N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide (PubChem CID 112728025) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
PubChem CID112728025
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
SMILESCCOCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-18-10-6-9-14(17)16(2)11-12-7-4-5-8-13(12)15/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyQYXQUIFDNDVZRH-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-3-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111763989
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 86824151
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78780684

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide (CID 112728025) is N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide is CCOCCCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide?
The InChIKey is QYXQUIFDNDVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-18-10-6-9-14(17)16(2)11-12-7-4-5-8-13(12)15/h4-5,7-8H,3,6,9-11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide?
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide has a molecular weight of 314.22 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide is sourced from PubChem (CID 112728025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).