N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide

C21H28N2O4 — CID 146564409

IUPACN-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide
SMILESCOCCNC(=O)C1CN(CC2C=CC=C(Oc3ccccc3)C2)CCO1
InChIInChI=1S/C21H28N2O4/c1-25-12-10-22-21(24)20-16-23(11-13-26-20)15-17-6-5-9-19(14-17)27-18-7-3-2-4-8-18/h2-9,17,20H,10-16H2,1H3,(H,22,24)
InChIKeyPPYWZXWJNIXVLZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.99
Rot. Bonds8

About N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide

N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide (PubChem CID 146564409) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide
PubChem CID146564409
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide
SMILESCOCCNC(=O)C1CN(CC2C=CC=C(Oc3ccccc3)C2)CCO1
InChIInChI=1S/C21H28N2O4/c1-25-12-10-22-21(24)20-16-23(11-13-26-20)15-17-6-5-9-19(14-17)27-18-7-3-2-4-8-18/h2-9,17,20H,10-16H2,1H3,(H,22,24)
InChIKeyPPYWZXWJNIXVLZ-UHFFFAOYSA-N
XLogP1.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide (CID 146564409) is N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide is COCCNC(=O)C1CN(CC2C=CC=C(Oc3ccccc3)C2)CCO1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide?
The InChIKey is PPYWZXWJNIXVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-25-12-10-22-21(24)20-16-23(11-13-26-20)15-17-6-5-9-19(14-17)27-18-7-3-2-4-8-18/h2-9,17,20H,10-16H2,1H3,(H,22,24).
What are the key properties of N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide?
N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 146564409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).