3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide

C13H25N3O2 — CID 99836829

IUPAC3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)N[C@@H](C)CCC(C)C)CC1=O
InChIInChI=1S/C13H25N3O2/c1-5-15-9-16(8-12(15)17)13(18)14-11(4)7-6-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-/m0/s1
InChIKeyPRBBWHJEATUHBS-NSHDSACASA-N
MW255.36 g/mol
LogP1.64
Rot. Bonds5

About 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide

3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 99836829) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide
PubChem CID99836829
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)N[C@@H](C)CCC(C)C)CC1=O
InChIInChI=1S/C13H25N3O2/c1-5-15-9-16(8-12(15)17)13(18)14-11(4)7-6-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-/m0/s1
InChIKeyPRBBWHJEATUHBS-NSHDSACASA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide (CID 99836829) is 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide is CCN1CN(C(=O)N[C@@H](C)CCC(C)C)CC1=O.
What is the InChIKey of 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is PRBBWHJEATUHBS-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-15-9-16(8-12(15)17)13(18)14-11(4)7-6-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-/m0/s1.
What are the key properties of 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide?
3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2S)-5-methylhexan-2-yl]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 99836829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).