N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide

C19H27NO4 — CID 17457747

IUPACN-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C19H27NO4/c1-23-17-11-9-14(13-18(17)24-2)16(21)10-12-19(22)20-15-7-5-3-4-6-8-15/h9,11,13,15H,3-8,10,12H2,1-2H3,(H,20,22)
InChIKeyPDOSGIKVMSQRKS-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.51
Rot. Bonds7

About N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide

N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 17457747) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
PubChem CID17457747
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C19H27NO4/c1-23-17-11-9-14(13-18(17)24-2)16(21)10-12-19(22)20-15-7-5-3-4-6-8-15/h9,11,13,15H,3-8,10,12H2,1-2H3,(H,20,22)
InChIKeyPDOSGIKVMSQRKS-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]cyclooctane-1-carboxylic acid
CID 120688810
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119450584
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide (CID 17457747) is N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NC2CCCCCC2)cc1OC.
What is the InChIKey of N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is PDOSGIKVMSQRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-23-17-11-9-14(13-18(17)24-2)16(21)10-12-19(22)20-15-7-5-3-4-6-8-15/h9,11,13,15H,3-8,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide?
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 333.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 17457747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).