2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide

C18H25BrN2O3 — CID 47056113

IUPAC2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(CC1CCCO1)CC1CCCO1)Nc1ccccc1Br
InChIInChI=1S/C18H25BrN2O3/c19-16-7-1-2-8-17(16)20-18(22)13-21(11-14-5-3-9-23-14)12-15-6-4-10-24-15/h1-2,7-8,14-15H,3-6,9-13H2,(H,20,22)
InChIKeyWYGJIACOSWHHLB-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.05
Rot. Bonds7

About 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide

2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide (PubChem CID 47056113) has the molecular formula C18H25BrN2O3 and a molecular weight of 397.31 g/mol. Its IUPAC name is 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide
PubChem CID47056113
Molecular FormulaC18H25BrN2O3
Molecular Weight397.31 g/mol
Exact Mass396.10
IUPAC Name2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(CC1CCCO1)CC1CCCO1)Nc1ccccc1Br
InChIInChI=1S/C18H25BrN2O3/c19-16-7-1-2-8-17(16)20-18(22)13-21(11-14-5-3-9-23-14)12-15-6-4-10-24-15/h1-2,7-8,14-15H,3-6,9-13H2,(H,20,22)
InChIKeyWYGJIACOSWHHLB-UHFFFAOYSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 51952595
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
N-(2-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8788462
N-(2-bromophenyl)-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8788459
N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055085
2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656616
2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 9055359
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
N-(2-methylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 8926224
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459

Frequently Asked Questions

What is the IUPAC name of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide (CID 47056113) is 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide is O=C(CN(CC1CCCO1)CC1CCCO1)Nc1ccccc1Br.
What is the InChIKey of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide?
The InChIKey is WYGJIACOSWHHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3/c19-16-7-1-2-8-17(16)20-18(22)13-21(11-14-5-3-9-23-14)12-15-6-4-10-24-15/h1-2,7-8,14-15H,3-6,9-13H2,(H,20,22).
What are the key properties of 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide?
2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide has a molecular weight of 397.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 47056113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).