N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide

C20H25NO3 — CID 17142469

IUPACN-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-14(2)13-23-18-10-8-17(9-11-18)21-20(22)16-6-5-7-19(12-16)24-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,21,22)
InChIKeyRJSSPKYYOOFDLL-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.76
Rot. Bonds7

About N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide

N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 17142469) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
PubChem CID17142469
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-14(2)13-23-18-10-8-17(9-11-18)21-20(22)16-6-5-7-19(12-16)24-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,21,22)
InChIKeyRJSSPKYYOOFDLL-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 4957755

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide (CID 17142469) is N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide is CC(C)COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is RJSSPKYYOOFDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14(2)13-23-18-10-8-17(9-11-18)21-20(22)16-6-5-7-19(12-16)24-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,21,22).
What are the key properties of N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide?
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17142469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).