(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

C16H23N3O3 — CID 94123689

IUPAC(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(C)CO[C@@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)10-22-12(3)15(20)18-13-5-4-6-14(9-13)19-8-7-17-16(19)21/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyCIRUWJVRBCBUQS-LBPRGKRZSA-N
MW305.38 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 94123689) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID94123689
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(C)CO[C@@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)10-22-12(3)15(20)18-13-5-4-6-14(9-13)19-8-7-17-16(19)21/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyCIRUWJVRBCBUQS-LBPRGKRZSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (CID 94123689) is (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is CC(C)CO[C@@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is CIRUWJVRBCBUQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)10-22-12(3)15(20)18-13-5-4-6-14(9-13)19-8-7-17-16(19)21/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,17,21)(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 94123689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).