4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide

C27H31NO3 — CID 7941963

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H31NO3/c1-5-18-30-25-9-7-6-8-24(25)28-26(29)21-12-10-20(11-13-21)19-31-23-16-14-22(15-17-23)27(2,3)4/h6-17H,5,18-19H2,1-4H3,(H,28,29)
InChIKeyFHFGUTKRDHTMMW-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.60
Rot. Bonds8

About 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide

4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide (PubChem CID 7941963) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
PubChem CID7941963
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H31NO3/c1-5-18-30-25-9-7-6-8-24(25)28-26(29)21-12-10-20(11-13-21)19-31-23-16-14-22(15-17-23)27(2,3)4/h6-17H,5,18-19H2,1-4H3,(H,28,29)
InChIKeyFHFGUTKRDHTMMW-UHFFFAOYSA-N
XLogP6.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide
CID 55528750
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-[2-[[4-[[4-(2-methylpropyl)phenyl]methoxy]benzoyl]amino]phenoxy]butanoic acid
CID 14620450
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961623
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide (CID 7941963) is 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide?
The InChIKey is FHFGUTKRDHTMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-5-18-30-25-9-7-6-8-24(25)28-26(29)21-12-10-20(11-13-21)19-31-23-16-14-22(15-17-23)27(2,3)4/h6-17H,5,18-19H2,1-4H3,(H,28,29).
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide has a molecular weight of 417.55 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 7941963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).