3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide

C20H25NO4 — CID 110357561

IUPAC3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCC(C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-14(15-8-6-5-7-9-15)10-11-21-20(22)16-12-17(23-2)19(25-4)18(13-16)24-3/h5-9,12-14H,10-11H2,1-4H3,(H,21,22)
InChIKeyULKOABAFXFTUNY-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.64
Rot. Bonds8

About 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide

3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide (PubChem CID 110357561) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
PubChem CID110357561
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCC(C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-14(15-8-6-5-7-9-15)10-11-21-20(22)16-12-17(23-2)19(25-4)18(13-16)24-3/h5-9,12-14H,10-11H2,1-4H3,(H,21,22)
InChIKeyULKOABAFXFTUNY-UHFFFAOYSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylbutyl)benzamide
CID 62403316
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40551436

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide (CID 110357561) is 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide is COc1cc(C(=O)NCCC(C)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide?
The InChIKey is ULKOABAFXFTUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(15-8-6-5-7-9-15)10-11-21-20(22)16-12-17(23-2)19(25-4)18(13-16)24-3/h5-9,12-14H,10-11H2,1-4H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide?
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide is sourced from PubChem (CID 110357561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).