3,5-dimethyl-4-phenylmethoxybenzamide

C16H17NO2 — CID 97179397

IUPAC3,5-dimethyl-4-phenylmethoxybenzamide
SMILESCc1cc(C(N)=O)cc(C)c1OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyAEVKAJJYIPHNTG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.98
Rot. Bonds4

About 3,5-dimethyl-4-phenylmethoxybenzamide

3,5-dimethyl-4-phenylmethoxybenzamide (PubChem CID 97179397) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,5-dimethyl-4-phenylmethoxybenzamide
PubChem CID97179397
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3,5-dimethyl-4-phenylmethoxybenzamide
SMILESCc1cc(C(N)=O)cc(C)c1OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyAEVKAJJYIPHNTG-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide
CID 170876730
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 65478013
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-ethoxy-3-iodo-5-phenylmethoxybenzamide
CID 1008050
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
3,5-dichloro-4-[(4-methylphenyl)methoxy]benzamide
CID 91682782
3-fluoro-5-phenylmethoxybenzamide
CID 155798135

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-phenylmethoxybenzamide?
The IUPAC name of 3,5-dimethyl-4-phenylmethoxybenzamide (CID 97179397) is 3,5-dimethyl-4-phenylmethoxybenzamide.
What is the SMILES notation for 3,5-dimethyl-4-phenylmethoxybenzamide?
The canonical SMILES for 3,5-dimethyl-4-phenylmethoxybenzamide is Cc1cc(C(N)=O)cc(C)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-4-phenylmethoxybenzamide?
The InChIKey is AEVKAJJYIPHNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18).
What are the key properties of 3,5-dimethyl-4-phenylmethoxybenzamide?
3,5-dimethyl-4-phenylmethoxybenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 97179397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).