(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide

C17H26N2O3 — CID 99930629

IUPAC(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cc(C)c(CN2CCO[C@H](C(N)=O)C2)cc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)14-8-13(12(3)7-15(14)21-4)9-19-5-6-22-16(10-19)17(18)20/h7-8,11,16H,5-6,9-10H2,1-4H3,(H2,18,20)/t16-/m0/s1
InChIKeyQOWQPTZEUQIRNQ-INIZCTEOSA-N
MW306.41 g/mol
LogP1.81
Rot. Bonds5

About (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 99930629) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID99930629
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cc(C)c(CN2CCO[C@H](C(N)=O)C2)cc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)14-8-13(12(3)7-15(14)21-4)9-19-5-6-22-16(10-19)17(18)20/h7-8,11,16H,5-6,9-10H2,1-4H3,(H2,18,20)/t16-/m0/s1
InChIKeyQOWQPTZEUQIRNQ-INIZCTEOSA-N
XLogP1.81
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide (CID 99930629) is (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide is COc1cc(C)c(CN2CCO[C@H](C(N)=O)C2)cc1C(C)C.
What is the InChIKey of (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is QOWQPTZEUQIRNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)14-8-13(12(3)7-15(14)21-4)9-19-5-6-22-16(10-19)17(18)20/h7-8,11,16H,5-6,9-10H2,1-4H3,(H2,18,20)/t16-/m0/s1.
What are the key properties of (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 99930629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).