2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide

C15H24N2O4 — CID 123817681

IUPAC2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide
SMILESCOCC1C=CC(CNC(=O)C(COC)NC(C)=O)=CC1
InChIInChI=1S/C15H24N2O4/c1-11(18)17-14(10-21-3)15(19)16-8-12-4-6-13(7-5-12)9-20-2/h4-6,13-14H,7-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYIUVXPGKFUHPAW-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.40
Rot. Bonds8

About 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide

2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide (PubChem CID 123817681) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide
PubChem CID123817681
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide
SMILESCOCC1C=CC(CNC(=O)C(COC)NC(C)=O)=CC1
InChIInChI=1S/C15H24N2O4/c1-11(18)17-14(10-21-3)15(19)16-8-12-4-6-13(7-5-12)9-20-2/h4-6,13-14H,7-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYIUVXPGKFUHPAW-UHFFFAOYSA-N
XLogP0.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide?
The IUPAC name of 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide (CID 123817681) is 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide.
What is the SMILES notation for 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide?
The canonical SMILES for 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide is COCC1C=CC(CNC(=O)C(COC)NC(C)=O)=CC1.
What is the InChIKey of 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide?
The InChIKey is YIUVXPGKFUHPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(18)17-14(10-21-3)15(19)16-8-12-4-6-13(7-5-12)9-20-2/h4-6,13-14H,7-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide?
2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methoxy-N-[[4-(methoxymethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide is sourced from PubChem (CID 123817681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).