2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

C14H20BrN3O3 — CID 43277501

IUPAC2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCNCc1cc(Br)ccc1OC(C)C(=O)NC(=O)NC
InChIInChI=1S/C14H20BrN3O3/c1-4-17-8-10-7-11(15)5-6-12(10)21-9(2)13(19)18-14(20)16-3/h5-7,9,17H,4,8H2,1-3H3,(H2,16,18,19,20)
InChIKeySWMZSIQHZZTSKM-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 43277501) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID43277501
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCNCc1cc(Br)ccc1OC(C)C(=O)NC(=O)NC
InChIInChI=1S/C14H20BrN3O3/c1-4-17-8-10-7-11(15)5-6-12(10)21-9(2)13(19)18-14(20)16-3/h5-7,9,17H,4,8H2,1-3H3,(H2,16,18,19,20)
InChIKeySWMZSIQHZZTSKM-UHFFFAOYSA-N
XLogP1.78
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107695387
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-carbamoylpropanamide
CID 43277601
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methylpropanamide
CID 54929525
2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43276952
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392989
methyl 3-bromo-4-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 25467110
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43277599

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (CID 43277501) is 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is CCNCc1cc(Br)ccc1OC(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is SWMZSIQHZZTSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-4-17-8-10-7-11(15)5-6-12(10)21-9(2)13(19)18-14(20)16-3/h5-7,9,17H,4,8H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 358.24 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43277501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).