N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide

C19H29NO4 — CID 112503009

IUPACN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
SMILESCCCCC(=O)NCC1(c2ccc(OC)c(OC)c2)CCOCC1
InChIInChI=1S/C19H29NO4/c1-4-5-6-18(21)20-14-19(9-11-24-12-10-19)15-7-8-16(22-2)17(13-15)23-3/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,21)
InChIKeyMNAOAJLHUWNLJA-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.06
Rot. Bonds8

About N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide (PubChem CID 112503009) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
PubChem CID112503009
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
SMILESCCCCC(=O)NCC1(c2ccc(OC)c(OC)c2)CCOCC1
InChIInChI=1S/C19H29NO4/c1-4-5-6-18(21)20-14-19(9-11-24-12-10-19)15-7-8-16(22-2)17(13-15)23-3/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,21)
InChIKeyMNAOAJLHUWNLJA-UHFFFAOYSA-N
XLogP3.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide 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-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 112503024
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
CID 110479476
(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 30038082
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]octanamide
CID 60535695
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 112503037
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide?
The IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide (CID 112503009) is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide.
What is the SMILES notation for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide?
The canonical SMILES for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide is CCCCC(=O)NCC1(c2ccc(OC)c(OC)c2)CCOCC1.
What is the InChIKey of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide?
The InChIKey is MNAOAJLHUWNLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-5-6-18(21)20-14-19(9-11-24-12-10-19)15-7-8-16(22-2)17(13-15)23-3/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,21).
What are the key properties of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide?
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide has a molecular weight of 335.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide is sourced from PubChem (CID 112503009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).