N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide

C20H25NO3 — CID 43911104

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H25NO3/c1-4-12-23-19-7-5-6-17(13-19)20(22)21-14-16-8-10-18(11-9-16)24-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,21,22)
InChIKeyIFGYLIFJNFSXCP-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.19
Rot. Bonds8

About N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide

N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide (PubChem CID 43911104) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
PubChem CID43911104
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H25NO3/c1-4-12-23-19-7-5-6-17(13-19)20(22)21-14-16-8-10-18(11-9-16)24-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,21,22)
InChIKeyIFGYLIFJNFSXCP-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911154
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
3-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911263
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-nitro-N-[(4-propoxyphenyl)methyl]benzamide
CID 71822488
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide (CID 43911104) is N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide?
The InChIKey is IFGYLIFJNFSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-12-23-19-7-5-6-17(13-19)20(22)21-14-16-8-10-18(11-9-16)24-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide?
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide is sourced from PubChem (CID 43911104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).