N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide

C19H22N4O4 — CID 166231436

IUPACN'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide
SMILESCCN(CC1CCCO1)C(=O)C(=O)Nc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C19H22N4O4/c1-2-23(13-16-8-4-11-26-16)18(25)17(24)22-14-6-3-7-15(12-14)27-19-20-9-5-10-21-19/h3,5-7,9-10,12,16H,2,4,8,11,13H2,1H3,(H,22,24)
InChIKeyMQCBZNPXGOOIRB-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.23
Rot. Bonds6

About N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide

N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide (PubChem CID 166231436) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide
PubChem CID166231436
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide
SMILESCCN(CC1CCCO1)C(=O)C(=O)Nc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C19H22N4O4/c1-2-23(13-16-8-4-11-26-16)18(25)17(24)22-14-6-3-7-15(12-14)27-19-20-9-5-10-21-19/h3,5-7,9-10,12,16H,2,4,8,11,13H2,1H3,(H,22,24)
InChIKeyMQCBZNPXGOOIRB-UHFFFAOYSA-N
XLogP2.23
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
N-(3-bromophenyl)-N'-methyl-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 99700386
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011182
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179439
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95258982
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258983
2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine
CID 126772483
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide?
The IUPAC name of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide (CID 166231436) is N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide?
The canonical SMILES for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide is CCN(CC1CCCO1)C(=O)C(=O)Nc1cccc(Oc2ncccn2)c1.
What is the InChIKey of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide?
The InChIKey is MQCBZNPXGOOIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-2-23(13-16-8-4-11-26-16)18(25)17(24)22-14-6-3-7-15(12-14)27-19-20-9-5-10-21-19/h3,5-7,9-10,12,16H,2,4,8,11,13H2,1H3,(H,22,24).
What are the key properties of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide?
N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide has a molecular weight of 370.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide is sourced from PubChem (CID 166231436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).