1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea

C20H22N2O4 — CID 14971289

IUPAC1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C20H22N2O4/c1-14(2)21-20(23)22(24)12-15-10-16-11-18(8-9-19(16)25-13-15)26-17-6-4-3-5-7-17/h3-11,14,24H,12-13H2,1-2H3,(H,21,23)
InChIKeyHYKGMNOZTPIPSO-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.06
Rot. Bonds5

About 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea

1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea (PubChem CID 14971289) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea
PubChem CID14971289
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C20H22N2O4/c1-14(2)21-20(23)22(24)12-15-10-16-11-18(8-9-19(16)25-13-15)26-17-6-4-3-5-7-17/h3-11,14,24H,12-13H2,1-2H3,(H,21,23)
InChIKeyHYKGMNOZTPIPSO-UHFFFAOYSA-N
XLogP4.06
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea (CID 14971289) is 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1.
What is the InChIKey of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea?
The InChIKey is HYKGMNOZTPIPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(2)21-20(23)22(24)12-15-10-16-11-18(8-9-19(16)25-13-15)26-17-6-4-3-5-7-17/h3-11,14,24H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea?
1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea has a molecular weight of 354.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 14971289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).