1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one

C17H23N3O4 — CID 94642990

IUPAC1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C17H23N3O4/c1-12(16(21)20-9-8-18-17(20)22)19-13-4-6-14(7-5-13)24-11-15-3-2-10-23-15/h4-7,12,15,19H,2-3,8-11H2,1H3,(H,18,22)/t12-,15-/m0/s1
InChIKeyFIBYIDZTFLPJEM-WFASDCNBSA-N
MW333.39 g/mol
LogP1.60
Rot. Bonds6

About 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one (PubChem CID 94642990) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
PubChem CID94642990
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C17H23N3O4/c1-12(16(21)20-9-8-18-17(20)22)19-13-4-6-14(7-5-13)24-11-15-3-2-10-23-15/h4-7,12,15,19H,2-3,8-11H2,1H3,(H,18,22)/t12-,15-/m0/s1
InChIKeyFIBYIDZTFLPJEM-WFASDCNBSA-N
XLogP1.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide
CID 47065380
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide
CID 94642959
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
CID 47010805
2-amino-3-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide;hydrochloride
CID 119712748
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one (CID 94642990) is 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one is C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one?
The InChIKey is FIBYIDZTFLPJEM-WFASDCNBSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(16(21)20-9-8-18-17(20)22)19-13-4-6-14(7-5-13)24-11-15-3-2-10-23-15/h4-7,12,15,19H,2-3,8-11H2,1H3,(H,18,22)/t12-,15-/m0/s1.
What are the key properties of 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 94642990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).