N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide

C21H31N3O4 — CID 121109673

IUPACN'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C21H31N3O4/c1-2-28-19-6-4-3-5-18(19)23-21(26)20(25)22-15-16-7-11-24(12-8-16)17-9-13-27-14-10-17/h3-6,16-17H,2,7-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQOWWLCSGNDICGW-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.03
Rot. Bonds6

About N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide

N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (PubChem CID 121109673) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
PubChem CID121109673
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C21H31N3O4/c1-2-28-19-6-4-3-5-18(19)23-21(26)20(25)22-15-16-7-11-24(12-8-16)17-9-13-27-14-10-17/h3-6,16-17H,2,7-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyQOWWLCSGNDICGW-UHFFFAOYSA-N
XLogP2.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
CID 16886788
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-ethoxyphenyl)oxamide
CID 72716890
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109641
N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109651
N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide
CID 121109636
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (CID 121109673) is N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is CCOc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The InChIKey is QOWWLCSGNDICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-2-28-19-6-4-3-5-18(19)23-21(26)20(25)22-15-16-7-11-24(12-8-16)17-9-13-27-14-10-17/h3-6,16-17H,2,7-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide has a molecular weight of 389.50 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 121109673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).