N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide

C29H32N2O7 — CID 149142775

IUPACN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
SMILESCOc1cc(-c2ccc(N(Cc3ccc(C(=O)CO)cc3)C(=O)N3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C29H32N2O7/c1-35-26-16-23(17-27(36-2)28(26)37-3)21-8-10-24(11-9-21)31(29(34)30-12-14-38-15-13-30)18-20-4-6-22(7-5-20)25(33)19-32/h4-11,16-17,32H,12-15,18-19H2,1-3H3
InChIKeyRILLYNZKNIUZGU-UHFFFAOYSA-N
MW520.58 g/mol
LogP4.01
Rot. Bonds9

About N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide

N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide (PubChem CID 149142775) has the molecular formula C29H32N2O7 and a molecular weight of 520.58 g/mol. Its IUPAC name is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
PubChem CID149142775
Molecular FormulaC29H32N2O7
Molecular Weight520.58 g/mol
Exact Mass520.22
IUPAC NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
SMILESCOc1cc(-c2ccc(N(Cc3ccc(C(=O)CO)cc3)C(=O)N3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C29H32N2O7/c1-35-26-16-23(17-27(36-2)28(26)37-3)21-8-10-24(11-9-21)31(29(34)30-12-14-38-15-13-30)18-20-4-6-22(7-5-20)25(33)19-32/h4-11,16-17,32H,12-15,18-19H2,1-3H3
InChIKeyRILLYNZKNIUZGU-UHFFFAOYSA-N
XLogP4.01
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide (CID 149142775) is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide is COc1cc(-c2ccc(N(Cc3ccc(C(=O)CO)cc3)C(=O)N3CCOCC3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide?
The InChIKey is RILLYNZKNIUZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O7/c1-35-26-16-23(17-27(36-2)28(26)37-3)21-8-10-24(11-9-21)31(29(34)30-12-14-38-15-13-30)18-20-4-6-22(7-5-20)25(33)19-32/h4-11,16-17,32H,12-15,18-19H2,1-3H3.
What are the key properties of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide?
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide has a molecular weight of 520.58 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 149142775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).