N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

C13H19BrN2O2 — CID 60683956

IUPACN-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCC(NC(=O)CN(C)CCO)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-10(11-3-5-12(14)6-4-11)15-13(18)9-16(2)7-8-17/h3-6,10,17H,7-9H2,1-2H3,(H,15,18)
InChIKeyOEVDVRAIVVAHSB-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.55
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 60683956) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID60683956
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCC(NC(=O)CN(C)CCO)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-10(11-3-5-12(14)6-4-11)15-13(18)9-16(2)7-8-17/h3-6,10,17H,7-9H2,1-2H3,(H,15,18)
InChIKeyOEVDVRAIVVAHSB-UHFFFAOYSA-N
XLogP1.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145
2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 40942275
N-[1-(4-bromophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 46801665
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 55354120
N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613634
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 60683956) is N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is CC(NC(=O)CN(C)CCO)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is OEVDVRAIVVAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10(11-3-5-12(14)6-4-11)15-13(18)9-16(2)7-8-17/h3-6,10,17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 315.21 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 60683956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).