N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide

C20H31NO3 — CID 99949717

IUPACN-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCCCCC2)cc1OCC
InChIInChI=1S/C20H31NO3/c1-3-23-18-13-11-16(15-19(18)24-4-2)12-14-20(22)21-17-9-7-5-6-8-10-17/h11,13,15,17H,3-10,12,14H2,1-2H3,(H,21,22)
InChIKeyPBTQQOTYHXQEII-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.26
Rot. Bonds8

About N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide

N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide (PubChem CID 99949717) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
PubChem CID99949717
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCCCCC2)cc1OCC
InChIInChI=1S/C20H31NO3/c1-3-23-18-13-11-16(15-19(18)24-4-2)12-14-20(22)21-17-9-7-5-6-8-10-17/h11,13,15,17H,3-10,12,14H2,1-2H3,(H,21,22)
InChIKeyPBTQQOTYHXQEII-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 99972464
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 132618643
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide?
The IUPAC name of N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide (CID 99949717) is N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NC2CCCCCC2)cc1OCC.
What is the InChIKey of N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide?
The InChIKey is PBTQQOTYHXQEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-3-23-18-13-11-16(15-19(18)24-4-2)12-14-20(22)21-17-9-7-5-6-8-10-17/h11,13,15,17H,3-10,12,14H2,1-2H3,(H,21,22).
What are the key properties of N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide?
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide has a molecular weight of 333.47 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide is sourced from PubChem (CID 99949717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).