N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide

C26H32N4O5 — CID 146122773

IUPACN-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1ccccc1CNC(=O)NCc1ccc(NC(=O)C2CC2)cc1)NCC1CCCO1
InChIInChI=1S/C26H32N4O5/c31-24(27-16-22-5-3-13-34-22)17-35-23-6-2-1-4-20(23)15-29-26(33)28-14-18-7-11-21(12-8-18)30-25(32)19-9-10-19/h1-2,4,6-8,11-12,19,22H,3,5,9-10,13-17H2,(H,27,31)(H,30,32)(H2,28,29,33)
InChIKeyCMELVIWHTYNNNJ-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.71
Rot. Bonds11

About N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 146122773) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID146122773
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC NameN-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1ccccc1CNC(=O)NCc1ccc(NC(=O)C2CC2)cc1)NCC1CCCO1
InChIInChI=1S/C26H32N4O5/c31-24(27-16-22-5-3-13-34-22)17-35-23-6-2-1-4-20(23)15-29-26(33)28-14-18-7-11-21(12-8-18)30-25(32)19-9-10-19/h1-2,4,6-8,11-12,19,22H,3,5,9-10,13-17H2,(H,27,31)(H,30,32)(H2,28,29,33)
InChIKeyCMELVIWHTYNNNJ-UHFFFAOYSA-N
XLogP2.71
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylamino]methyl]benzoic acid
CID 122030533
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 137406946
5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 166185246
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 146122773) is N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide is O=C(COc1ccccc1CNC(=O)NCc1ccc(NC(=O)C2CC2)cc1)NCC1CCCO1.
What is the InChIKey of N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is CMELVIWHTYNNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c31-24(27-16-22-5-3-13-34-22)17-35-23-6-2-1-4-20(23)15-29-26(33)28-14-18-7-11-21(12-8-18)30-25(32)19-9-10-19/h1-2,4,6-8,11-12,19,22H,3,5,9-10,13-17H2,(H,27,31)(H,30,32)(H2,28,29,33).
What are the key properties of N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 480.57 g/mol, XLogP of 2.71, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 146122773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).