N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide

C18H28N2O4 — CID 2139822

IUPACN-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
SMILESCCCCCCOc1ccc(C(NC(C)=O)NC(C)=O)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-6-7-8-11-24-16-10-9-15(12-17(16)23-4)18(19-13(2)21)20-14(3)22/h9-10,12,18H,5-8,11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyVDVYBAYVSSXCRB-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.93
Rot. Bonds10

About N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide

N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide (PubChem CID 2139822) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
PubChem CID2139822
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
SMILESCCCCCCOc1ccc(C(NC(C)=O)NC(C)=O)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-6-7-8-11-24-16-10-9-15(12-17(16)23-4)18(19-13(2)21)20-14(3)22/h9-10,12,18H,5-8,11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyVDVYBAYVSSXCRB-UHFFFAOYSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hexoxy-3-methoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide
CID 5258983
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
4-chloro-N-[[(4-chlorobenzoyl)amino]-(3-methoxy-4-nonoxyphenyl)methyl]benzamide
CID 18839362
4-fluoro-N-[[(4-fluorobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 18839438
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209328
N-[(3-heptoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890153
N-[(3-hexoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890129
2-chloro-N-[[(2-chloroacetyl)amino]-(3-heptoxy-4-methoxyphenyl)methyl]acetamide
CID 18890159
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209327
N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 5245031
N-[(4-heptoxy-3-methoxyphenyl)-[(4-nitrobenzoyl)amino]methyl]-4-nitrobenzamide
CID 5209334
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159

Frequently Asked Questions

What is the IUPAC name of N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide (CID 2139822) is N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide is CCCCCCOc1ccc(C(NC(C)=O)NC(C)=O)cc1OC.
What is the InChIKey of N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide?
The InChIKey is VDVYBAYVSSXCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-6-7-8-11-24-16-10-9-15(12-17(16)23-4)18(19-13(2)21)20-14(3)22/h9-10,12,18H,5-8,11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide?
N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide has a molecular weight of 336.43 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2139822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).