N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide

C15H21NO3 — CID 110406403

IUPACN-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2CC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-18-13-9-6-11(10-14(13)19-2)4-3-5-15(17)16-12-7-8-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyWIYNBGNMSIIISS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds7

About N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide

N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 110406403) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID110406403
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2CC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-18-13-9-6-11(10-14(13)19-2)4-3-5-15(17)16-12-7-8-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyWIYNBGNMSIIISS-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-cyclopropyl-4-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111213558
4-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066112
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride
CID 19004706
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide (CID 110406403) is N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(CCCC(=O)NC2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is WIYNBGNMSIIISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-9-6-11(10-14(13)19-2)4-3-5-15(17)16-12-7-8-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide?
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 263.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 110406403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).