1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one

C16H21N3O4 — CID 138020739

IUPAC1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one
SMILESCC1(C)CC(O)c2cccc(NCC(=O)N3CCNC3=O)c2O1
InChIInChI=1S/C16H21N3O4/c1-16(2)8-12(20)10-4-3-5-11(14(10)23-16)18-9-13(21)19-7-6-17-15(19)22/h3-5,12,18,20H,6-9H2,1-2H3,(H,17,22)
InChIKeyKLFJLCARCADYDV-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one

1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one (PubChem CID 138020739) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one
PubChem CID138020739
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one
SMILESCC1(C)CC(O)c2cccc(NCC(=O)N3CCNC3=O)c2O1
InChIInChI=1S/C16H21N3O4/c1-16(2)8-12(20)10-4-3-5-11(14(10)23-16)18-9-13(21)19-7-6-17-15(19)22/h3-5,12,18,20H,6-9H2,1-2H3,(H,17,22)
InChIKeyKLFJLCARCADYDV-UHFFFAOYSA-N
XLogP1.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one (CID 138020739) is 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one is CC1(C)CC(O)c2cccc(NCC(=O)N3CCNC3=O)c2O1.
What is the InChIKey of 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one?
The InChIKey is KLFJLCARCADYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2)8-12(20)10-4-3-5-11(14(10)23-16)18-9-13(21)19-7-6-17-15(19)22/h3-5,12,18,20H,6-9H2,1-2H3,(H,17,22).
What are the key properties of 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one?
1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one has a molecular weight of 319.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 138020739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).