N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide

C17H29N3O4 — CID 166297377

IUPACN'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide
SMILESCNC(=O)CCCC(=O)N(CCNC(=O)C1(C)CCOC1)C1CC1
InChIInChI=1S/C17H29N3O4/c1-17(8-11-24-12-17)16(23)19-9-10-20(13-6-7-13)15(22)5-3-4-14(21)18-2/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyIQBVQSQMOJHVBZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.44
Rot. Bonds9

About N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide

N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide (PubChem CID 166297377) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide
PubChem CID166297377
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC NameN'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide
SMILESCNC(=O)CCCC(=O)N(CCNC(=O)C1(C)CCOC1)C1CC1
InChIInChI=1S/C17H29N3O4/c1-17(8-11-24-12-17)16(23)19-9-10-20(13-6-7-13)15(22)5-3-4-14(21)18-2/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyIQBVQSQMOJHVBZ-UHFFFAOYSA-N
XLogP0.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide?
The IUPAC name of N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide (CID 166297377) is N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide.
What is the SMILES notation for N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide?
The canonical SMILES for N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide is CNC(=O)CCCC(=O)N(CCNC(=O)C1(C)CCOC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide?
The InChIKey is IQBVQSQMOJHVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-17(8-11-24-12-17)16(23)19-9-10-20(13-6-7-13)15(22)5-3-4-14(21)18-2/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide?
N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide has a molecular weight of 339.44 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-N'-[2-[(3-methyloxolane-3-carbonyl)amino]ethyl]pentanediamide is sourced from PubChem (CID 166297377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).