N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide

C26H36N2O4 — CID 42701779

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCN1CCOCC1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C26H36N2O4/c1-3-4-10-26(29)28(14-13-27-15-17-31-18-16-27)20-23-11-12-24(30-2)25(19-23)32-21-22-8-6-5-7-9-22/h5-9,11-12,19H,3-4,10,13-18,20-21H2,1-2H3
InChIKeyYKCBKCIOGLTHKS-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.13
Rot. Bonds12

About N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 42701779) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID42701779
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCN1CCOCC1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C26H36N2O4/c1-3-4-10-26(29)28(14-13-27-15-17-31-18-16-27)20-23-11-12-24(30-2)25(19-23)32-21-22-8-6-5-7-9-22/h5-9,11-12,19H,3-4,10,13-18,20-21H2,1-2H3
InChIKeyYKCBKCIOGLTHKS-UHFFFAOYSA-N
XLogP4.13
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
CID 42701804
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
ethyl 4-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 42708428
3-(4-ethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3346808
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
CID 4235665
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide (CID 42701779) is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide is CCCCC(=O)N(CCN1CCOCC1)Cc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is YKCBKCIOGLTHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-3-4-10-26(29)28(14-13-27-15-17-31-18-16-27)20-23-11-12-24(30-2)25(19-23)32-21-22-8-6-5-7-9-22/h5-9,11-12,19H,3-4,10,13-18,20-21H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 440.58 g/mol, XLogP of 4.13, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 42701779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).