N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide

C18H33N3O3 — CID 138007536

IUPACN-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide
SMILESCCCN(C)CC(=O)NCC1(NC(=O)C2CCOC2)CCCCC1
InChIInChI=1S/C18H33N3O3/c1-3-10-21(2)12-16(22)19-14-18(8-5-4-6-9-18)20-17(23)15-7-11-24-13-15/h15H,3-14H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIVZHCRWALYPYOO-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.30
Rot. Bonds8

About N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide

N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide (PubChem CID 138007536) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide
PubChem CID138007536
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide
SMILESCCCN(C)CC(=O)NCC1(NC(=O)C2CCOC2)CCCCC1
InChIInChI=1S/C18H33N3O3/c1-3-10-21(2)12-16(22)19-14-18(8-5-4-6-9-18)20-17(23)15-7-11-24-13-15/h15H,3-14H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIVZHCRWALYPYOO-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide (CID 138007536) is N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide is CCCN(C)CC(=O)NCC1(NC(=O)C2CCOC2)CCCCC1.
What is the InChIKey of N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide?
The InChIKey is IVZHCRWALYPYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-3-10-21(2)12-16(22)19-14-18(8-5-4-6-9-18)20-17(23)15-7-11-24-13-15/h15H,3-14H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide?
N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[[2-[methyl(propyl)amino]acetyl]amino]methyl]cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 138007536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).