N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide

C25H32N2O5 — CID 97352393

IUPACN-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C=O)ccc1OCCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C25H32N2O5/c1-18-14-27(15-19(2)32-18)16-21-6-4-20(5-7-21)13-26-25(29)10-11-31-23-9-8-22(17-28)12-24(23)30-3/h4-9,12,17-19H,10-11,13-16H2,1-3H3,(H,26,29)/t18-,19-/m1/s1
InChIKeyKLMBPDMGIXNHPN-RTBURBONSA-N
MW440.54 g/mol
LogP3.20
Rot. Bonds10

About N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide

N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide (PubChem CID 97352393) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide
PubChem CID97352393
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C=O)ccc1OCCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C25H32N2O5/c1-18-14-27(15-19(2)32-18)16-21-6-4-20(5-7-21)13-26-25(29)10-11-31-23-9-8-22(17-28)12-24(23)30-3/h4-9,12,17-19H,10-11,13-16H2,1-3H3,(H,26,29)/t18-,19-/m1/s1
InChIKeyKLMBPDMGIXNHPN-RTBURBONSA-N
XLogP3.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 62326485
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55781235
3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46449436
N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 86979197
2-[cyclopropyl(methyl)amino]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 60503915
3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46417626
3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide
CID 126842066
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide
CID 60508526
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753590
(2R,6R)-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-2,6-dimethylmorpholine
CID 7413033

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide?
The IUPAC name of N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide (CID 97352393) is N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide is COc1cc(C=O)ccc1OCCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide?
The InChIKey is KLMBPDMGIXNHPN-RTBURBONSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-18-14-27(15-19(2)32-18)16-21-6-4-20(5-7-21)13-26-25(29)10-11-31-23-9-8-22(17-28)12-24(23)30-3/h4-9,12,17-19H,10-11,13-16H2,1-3H3,(H,26,29)/t18-,19-/m1/s1.
What are the key properties of N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide?
N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide has a molecular weight of 440.54 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide is sourced from PubChem (CID 97352393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).