N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide

C17H25NO3 — CID 78779732

IUPACN-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
SMILESCCCOc1ccc(NC(=O)C2CCC2)cc1OCCC
InChIInChI=1S/C17H25NO3/c1-3-10-20-15-9-8-14(12-16(15)21-11-4-2)18-17(19)13-6-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,19)
InChIKeySYFBNRHKTVJDDC-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.00
Rot. Bonds8

About N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide

N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide (PubChem CID 78779732) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
PubChem CID78779732
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
SMILESCCCOc1ccc(NC(=O)C2CCC2)cc1OCCC
InChIInChI=1S/C17H25NO3/c1-3-10-20-15-9-8-14(12-16(15)21-11-4-2)18-17(19)13-6-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,19)
InChIKeySYFBNRHKTVJDDC-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide 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-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26705393
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 16551227
1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide (CID 78779732) is N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide is CCCOc1ccc(NC(=O)C2CCC2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide?
The InChIKey is SYFBNRHKTVJDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-10-20-15-9-8-14(12-16(15)21-11-4-2)18-17(19)13-6-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide?
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide has a molecular weight of 291.39 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 78779732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).