2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

C16H25BrN2O2 — CID 8919159

IUPAC2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)COc1cccc(Br)c1)C(C)C
InChIInChI=1S/C16H25BrN2O2/c1-12(2)19(13(3)4)9-8-18-16(20)11-21-15-7-5-6-14(17)10-15/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,18,20)
InChIKeyMCTJERHHHCMACB-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.06
Rot. Bonds8

About 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 8919159) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID8919159
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)COc1cccc(Br)c1)C(C)C
InChIInChI=1S/C16H25BrN2O2/c1-12(2)19(13(3)4)9-8-18-16(20)11-21-15-7-5-6-14(17)10-15/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,18,20)
InChIKeyMCTJERHHHCMACB-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
N-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-2-yloxyacetamide
CID 8919238
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
CID 8802905
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 8919159) is 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is CC(C)N(CCNC(=O)COc1cccc(Br)c1)C(C)C.
What is the InChIKey of 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is MCTJERHHHCMACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-12(2)19(13(3)4)9-8-18-16(20)11-21-15-7-5-6-14(17)10-15/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,18,20).
What are the key properties of 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 357.29 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 8919159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).