2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide

C14H20BrNO2 — CID 55125595

IUPAC2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
SMILESCCC(Br)C(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C14H20BrNO2/c1-3-13(15)14(17)16(2)10-7-11-18-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKeyMOZOQXQZTRFJLH-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.09
Rot. Bonds7

About 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide

2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide (PubChem CID 55125595) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
PubChem CID55125595
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
SMILESCCC(Br)C(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C14H20BrNO2/c1-3-13(15)14(17)16(2)10-7-11-18-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKeyMOZOQXQZTRFJLH-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
CID 56510183
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
3-(aminomethyl)-N-methyl-N-(3-phenoxypropyl)pentanamide
CID 81087362
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 103875146
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
CID 119306189
1-[methyl(3-phenoxypropyl)amino]butan-2-ol
CID 142108769
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide?
The IUPAC name of 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide (CID 55125595) is 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide?
The canonical SMILES for 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide is CCC(Br)C(=O)N(C)CCCOc1ccccc1.
What is the InChIKey of 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide?
The InChIKey is MOZOQXQZTRFJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-13(15)14(17)16(2)10-7-11-18-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide?
2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide has a molecular weight of 314.22 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide is sourced from PubChem (CID 55125595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).