4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide

C17H17BrN2O4 — CID 49417784

IUPAC4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)COc2ccc3ccccc3c2Br)CCO1
InChIInChI=1S/C17H17BrN2O4/c18-16-12-4-2-1-3-11(12)5-6-13(16)24-10-15(21)20-7-8-23-14(9-20)17(19)22/h1-6,14H,7-10H2,(H2,19,22)
InChIKeyVAWAIMLEOYDIFP-UHFFFAOYSA-N
MW393.24 g/mol
LogP1.69
Rot. Bonds4

About 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide

4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide (PubChem CID 49417784) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide
PubChem CID49417784
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)COc2ccc3ccccc3c2Br)CCO1
InChIInChI=1S/C17H17BrN2O4/c18-16-12-4-2-1-3-11(12)5-6-13(16)24-10-15(21)20-7-8-23-14(9-20)17(19)22/h1-6,14H,7-10H2,(H2,19,22)
InChIKeyVAWAIMLEOYDIFP-UHFFFAOYSA-N
XLogP1.69
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-1-(3-methylpiperidin-1-yl)ethanone
CID 42990322
1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 95347592
2-(1-bromonaphthalen-2-yl)oxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 1300877
N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide
CID 37025023
(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide
CID 94370840
2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 4769726
4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
CID 119238762
2-(1-bromonaphthalen-2-yl)oxy-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 37026013
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
2-(1,6-dibromonaphthalen-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 3330511

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide?
The IUPAC name of 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide (CID 49417784) is 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)COc2ccc3ccccc3c2Br)CCO1.
What is the InChIKey of 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide?
The InChIKey is VAWAIMLEOYDIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c18-16-12-4-2-1-3-11(12)5-6-13(16)24-10-15(21)20-7-8-23-14(9-20)17(19)22/h1-6,14H,7-10H2,(H2,19,22).
What are the key properties of 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide?
4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide is sourced from PubChem (CID 49417784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).