N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide

C35H36N2O5 — CID 146316459

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C35H36N2O5/c1-25(2)29-21-30(34(38)36-31-16-10-9-15-28(31)35(39)37-17-19-40-20-18-37)33(42-24-27-13-7-4-8-14-27)22-32(29)41-23-26-11-5-3-6-12-26/h3-16,21-22,25H,17-20,23-24H2,1-2H3,(H,36,38)
InChIKeyXZKGGOKUFCFITJ-UHFFFAOYSA-N
MW564.68 g/mol
LogP6.69
Rot. Bonds10

About N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide

N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide (PubChem CID 146316459) has the molecular formula C35H36N2O5 and a molecular weight of 564.68 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
PubChem CID146316459
Molecular FormulaC35H36N2O5
Molecular Weight564.68 g/mol
Exact Mass564.26
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C35H36N2O5/c1-25(2)29-21-30(34(38)36-31-16-10-9-15-28(31)35(39)37-17-19-40-20-18-37)33(42-24-27-13-7-4-8-14-27)22-32(29)41-23-26-11-5-3-6-12-26/h3-16,21-22,25H,17-20,23-24H2,1-2H3,(H,36,38)
InChIKeyXZKGGOKUFCFITJ-UHFFFAOYSA-N
XLogP6.69
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316537
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
5-(1-methylpyrazol-4-yl)-4-(morpholine-4-carbonyl)-2-phenylmethoxybenzoic acid
CID 66611117
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459
[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-1,3-dihydroisoindol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 46914879
4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 35327584
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
methyl 2-[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-1,3-dihydroisoindole-5-carboxylate
CID 46914878
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide (CID 146316459) is N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide is CC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The InChIKey is XZKGGOKUFCFITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O5/c1-25(2)29-21-30(34(38)36-31-16-10-9-15-28(31)35(39)37-17-19-40-20-18-37)33(42-24-27-13-7-4-8-14-27)22-32(29)41-23-26-11-5-3-6-12-26/h3-16,21-22,25H,17-20,23-24H2,1-2H3,(H,36,38).
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide has a molecular weight of 564.68 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide is sourced from PubChem (CID 146316459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).