3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

C26H29NO3 — CID 42725516

IUPAC3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(OCc3ccccc3)c2)CC(C)C)c1
InChIInChI=1S/C26H29NO3/c1-20(2)17-27(26(28)23-12-8-13-24(16-23)29-3)18-22-11-7-14-25(15-22)30-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3
InChIKeyXWNUICZBYMSNBB-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.57
Rot. Bonds9

About 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 42725516) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
PubChem CID42725516
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(OCc3ccccc3)c2)CC(C)C)c1
InChIInChI=1S/C26H29NO3/c1-20(2)17-27(26(28)23-12-8-13-24(16-23)29-3)18-22-11-7-14-25(15-22)30-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3
InChIKeyXWNUICZBYMSNBB-UHFFFAOYSA-N
XLogP5.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide
CID 42725504
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
[2-methoxy-5-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
CID 5101950
3-N-[(2R,3S)-3-amino-2-hydroxy-4-(3-phenylmethoxyphenyl)butyl]-3-N-[(3-methoxyphenyl)methyl]-1-N,1-N-dipropylbenzene-1,3,5-tricarboxamide
CID 69322930
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 66913001
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
CID 143404891
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
[3-[[benzoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 5048276
N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46992006

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (CID 42725516) is 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is COc1cccc(C(=O)N(Cc2cccc(OCc3ccccc3)c2)CC(C)C)c1.
What is the InChIKey of 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is XWNUICZBYMSNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-20(2)17-27(26(28)23-12-8-13-24(16-23)29-3)18-22-11-7-14-25(15-22)30-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 403.52 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42725516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).