(2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide

C15H22N2O4 — CID 44538158

IUPAC(2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide
SMILESCOCc1ccc(CNC(=O)[C@@H](COC)NC(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-11(18)17-14(10-21-3)15(19)16-8-12-4-6-13(7-5-12)9-20-2/h4-7,14H,8-10H2,1-3H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyNWQJGIGRQJIQIC-CQSZACIVSA-N
MW294.35 g/mol
LogP0.60
Rot. Bonds8

About (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide

(2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide (PubChem CID 44538158) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide
PubChem CID44538158
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide
SMILESCOCc1ccc(CNC(=O)[C@@H](COC)NC(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-11(18)17-14(10-21-3)15(19)16-8-12-4-6-13(7-5-12)9-20-2/h4-7,14H,8-10H2,1-3H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyNWQJGIGRQJIQIC-CQSZACIVSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide (CID 44538158) is (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide is COCc1ccc(CNC(=O)[C@@H](COC)NC(C)=O)cc1.
What is the InChIKey of (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide?
The InChIKey is NWQJGIGRQJIQIC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(18)17-14(10-21-3)15(19)16-8-12-4-6-13(7-5-12)9-20-2/h4-7,14H,8-10H2,1-3H3,(H,16,19)(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide?
(2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 44538158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).