N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide

C28H31N3O3 — CID 4880635

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O3/c1-30(21-27(32)29-24-12-14-25(15-13-24)31-16-18-34-19-17-31)28(33)20-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-21H2,1H3,(H,29,32)
InChIKeyWCNIJAYFVCXRIV-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.14
Rot. Bonds8

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide (PubChem CID 4880635) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
PubChem CID4880635
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O3/c1-30(21-27(32)29-24-12-14-25(15-13-24)31-16-18-34-19-17-31)28(33)20-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-21H2,1H3,(H,29,32)
InChIKeyWCNIJAYFVCXRIV-UHFFFAOYSA-N
XLogP4.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide (CID 4880635) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
The InChIKey is WCNIJAYFVCXRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-30(21-27(32)29-24-12-14-25(15-13-24)31-16-18-34-19-17-31)28(33)20-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-21H2,1H3,(H,29,32).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide has a molecular weight of 457.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 4880635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).