N-(3,4-dipropoxyphenyl)oxane-4-carboxamide

C18H27NO4 — CID 78800774

IUPACN-(3,4-dipropoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCOCC2)cc1OCCC
InChIInChI=1S/C18H27NO4/c1-3-9-22-16-6-5-15(13-17(16)23-10-4-2)19-18(20)14-7-11-21-12-8-14/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,19,20)
InChIKeyQOJUCSDVFRIGDU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.63
Rot. Bonds8

About N-(3,4-dipropoxyphenyl)oxane-4-carboxamide

N-(3,4-dipropoxyphenyl)oxane-4-carboxamide (PubChem CID 78800774) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)oxane-4-carboxamide
PubChem CID78800774
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-(3,4-dipropoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCOCC2)cc1OCCC
InChIInChI=1S/C18H27NO4/c1-3-9-22-16-6-5-15(13-17(16)23-10-4-2)19-18(20)14-7-11-21-12-8-14/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,19,20)
InChIKeyQOJUCSDVFRIGDU-UHFFFAOYSA-N
XLogP3.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dipropoxyphenyl)oxane-4-carboxamide 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)cyclobutanecarboxamide
CID 78779732
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 16551227
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide
CID 18368353
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26705393
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)oxane-4-carboxamide (CID 78800774) is N-(3,4-dipropoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)oxane-4-carboxamide is CCCOc1ccc(NC(=O)C2CCOCC2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)oxane-4-carboxamide?
The InChIKey is QOJUCSDVFRIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-9-22-16-6-5-15(13-17(16)23-10-4-2)19-18(20)14-7-11-21-12-8-14/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dipropoxyphenyl)oxane-4-carboxamide?
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 78800774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).