[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate

C17H25N3O4 — CID 171843524

IUPAC[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate
SMILESCNc1ccc(COC(C)=O)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C17H25N3O4/c1-13(21)24-12-14-3-4-15(18-2)11-16(14)17(22)19-5-6-20-7-9-23-10-8-20/h3-4,11,18H,5-10,12H2,1-2H3,(H,19,22)
InChIKeyRDSSXUJBTYXSDI-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.85
Rot. Bonds7

About [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate

[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate (PubChem CID 171843524) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate
PubChem CID171843524
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate
SMILESCNc1ccc(COC(C)=O)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C17H25N3O4/c1-13(21)24-12-14-3-4-15(18-2)11-16(14)17(22)19-5-6-20-7-9-23-10-8-20/h3-4,11,18H,5-10,12H2,1-2H3,(H,19,22)
InChIKeyRDSSXUJBTYXSDI-UHFFFAOYSA-N
XLogP0.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate
CID 171843638
[4-(methylamino)-2-(prop-2-ynylcarbamoyl)phenyl]methyl acetate
CID 171843732
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate
CID 142022844
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate?
The IUPAC name of [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate (CID 171843524) is [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate.
What is the SMILES notation for [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate?
The canonical SMILES for [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate is CNc1ccc(COC(C)=O)c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate?
The InChIKey is RDSSXUJBTYXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13(21)24-12-14-3-4-15(18-2)11-16(14)17(22)19-5-6-20-7-9-23-10-8-20/h3-4,11,18H,5-10,12H2,1-2H3,(H,19,22).
What are the key properties of [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate?
[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate has a molecular weight of 335.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate is sourced from PubChem (CID 171843524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).