(6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide

C12H23N3O2 — CID 140959308

IUPAC(6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide
SMILESCCNC(=O)CCCC[C@@H](C)[C@H]1CNC(=O)N1
InChIInChI=1S/C12H23N3O2/c1-3-13-11(16)7-5-4-6-9(2)10-8-14-12(17)15-10/h9-10H,3-8H2,1-2H3,(H,13,16)(H2,14,15,17)/t9-,10-/m1/s1
InChIKeyOLIJNWZLBJUQKC-NXEZZACHSA-N
MW241.33 g/mol
LogP1.00
Rot. Bonds7

About (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide

(6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide (PubChem CID 140959308) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide.

Molecular Properties

Compound Name(6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide
PubChem CID140959308
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide
SMILESCCNC(=O)CCCC[C@@H](C)[C@H]1CNC(=O)N1
InChIInChI=1S/C12H23N3O2/c1-3-13-11(16)7-5-4-6-9(2)10-8-14-12(17)15-10/h9-10H,3-8H2,1-2H3,(H,13,16)(H2,14,15,17)/t9-,10-/m1/s1
InChIKeyOLIJNWZLBJUQKC-NXEZZACHSA-N
XLogP1.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide?
The IUPAC name of (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide (CID 140959308) is (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide.
What is the SMILES notation for (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide?
The canonical SMILES for (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide is CCNC(=O)CCCC[C@@H](C)[C@H]1CNC(=O)N1.
What is the InChIKey of (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide?
The InChIKey is OLIJNWZLBJUQKC-NXEZZACHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-13-11(16)7-5-4-6-9(2)10-8-14-12(17)15-10/h9-10H,3-8H2,1-2H3,(H,13,16)(H2,14,15,17)/t9-,10-/m1/s1.
What are the key properties of (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide?
(6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide has a molecular weight of 241.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-ethyl-6-[(4S)-2-oxoimidazolidin-4-yl]heptanamide is sourced from PubChem (CID 140959308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).