3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide

C26H34N2O4 — CID 71616252

IUPAC3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
SMILESCc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C26H34N2O4/c1-20-16-23(17-21(2)24(20)32-18-22-6-4-3-5-7-22)25(29)27-19-26(8-12-30-13-9-26)28-10-14-31-15-11-28/h3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29)
InChIKeyZMXKPOLDHSASBR-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.49
Rot. Bonds7

About 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide

3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide (PubChem CID 71616252) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
PubChem CID71616252
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
SMILESCc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C26H34N2O4/c1-20-16-23(17-21(2)24(20)32-18-22-6-4-3-5-7-22)25(29)27-19-26(8-12-30-13-9-26)28-10-14-31-15-11-28/h3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29)
InChIKeyZMXKPOLDHSASBR-UHFFFAOYSA-N
XLogP3.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 161306520
3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
CID 55658528
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 71617633
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3,5-dimethoxy-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride;[1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
CID 159010603
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-(2-phenylmethoxyphenyl)propanamide
CID 126509782

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide (CID 71616252) is 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide is Cc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(C)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
The InChIKey is ZMXKPOLDHSASBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-20-16-23(17-21(2)24(20)32-18-22-6-4-3-5-7-22)25(29)27-19-26(8-12-30-13-9-26)28-10-14-31-15-11-28/h3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29).
What are the key properties of 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide has a molecular weight of 438.57 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 71616252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).