N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide

C14H18BrNO2 — CID 60769057

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CC1CCCO1
InChIInChI=1S/C14H18BrNO2/c1-16(10-11-4-6-12(15)7-5-11)14(17)9-13-3-2-8-18-13/h4-7,13H,2-3,8-10H2,1H3
InChIKeyGNKQBZXZDPCRKV-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.98
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide

N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide (PubChem CID 60769057) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide
PubChem CID60769057
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CC1CCCO1
InChIInChI=1S/C14H18BrNO2/c1-16(10-11-4-6-12(15)7-5-11)14(17)9-13-3-2-8-18-13/h4-7,13H,2-3,8-10H2,1H3
InChIKeyGNKQBZXZDPCRKV-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 79610089
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40841722
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111292953
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66428059
N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65155863
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide (CID 60769057) is N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide is CN(Cc1ccc(Br)cc1)C(=O)CC1CCCO1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide?
The InChIKey is GNKQBZXZDPCRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-16(10-11-4-6-12(15)7-5-11)14(17)9-13-3-2-8-18-13/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide has a molecular weight of 312.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 60769057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).