N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide

C21H27NO3 — CID 133160886

IUPACN-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(CC)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-13-25-18-10-7-16(8-11-18)21(23)22-19(6-2)17-9-12-20(24-4)15(3)14-17/h7-12,14,19H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyDMODUDNVXKZYTG-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.67
Rot. Bonds8

About N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide

N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide (PubChem CID 133160886) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
PubChem CID133160886
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(CC)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-13-25-18-10-7-16(8-11-18)21(23)22-19(6-2)17-9-12-20(24-4)15(3)14-17/h7-12,14,19H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyDMODUDNVXKZYTG-UHFFFAOYSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 133161272
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
CID 100568849
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide (CID 133160886) is N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NC(CC)c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide?
The InChIKey is DMODUDNVXKZYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-13-25-18-10-7-16(8-11-18)21(23)22-19(6-2)17-9-12-20(24-4)15(3)14-17/h7-12,14,19H,5-6,13H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide?
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide has a molecular weight of 341.45 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide is sourced from PubChem (CID 133160886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).