3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide

C20H25NO2 — CID 86031288

IUPAC3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(OCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H25NO2/c1-4-12-21-20(22)18-6-5-7-19(13-18)23-14-16-8-10-17(11-9-16)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,21,22)
InChIKeySFHOKBLEVWHCIB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.53
Rot. Bonds7

About 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide

3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide (PubChem CID 86031288) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
PubChem CID86031288
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(OCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H25NO2/c1-4-12-21-20(22)18-6-5-7-19(13-18)23-14-16-8-10-17(11-9-16)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,21,22)
InChIKeySFHOKBLEVWHCIB-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide
CID 86114741
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
3-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide?
The IUPAC name of 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide (CID 86031288) is 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide is CCCNC(=O)c1cccc(OCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide?
The InChIKey is SFHOKBLEVWHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-12-21-20(22)18-6-5-7-19(13-18)23-14-16-8-10-17(11-9-16)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,21,22).
What are the key properties of 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide?
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide is sourced from PubChem (CID 86031288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).