(7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate

C18H24N2O4 — CID 12924895

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate
SMILESCOc1ccc2c(CO/C(=N/C(C)C)NC(C)C)cc(=O)oc2c1
InChIInChI=1S/C18H24N2O4/c1-11(2)19-18(20-12(3)4)23-10-13-8-17(21)24-16-9-14(22-5)6-7-15(13)16/h6-9,11-12H,10H2,1-5H3,(H,19,20)
InChIKeyOKFXDYUUDYXJRE-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.08
Rot. Bonds5

About (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate

(7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate (PubChem CID 12924895) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate
PubChem CID12924895
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate
SMILESCOc1ccc2c(CO/C(=N/C(C)C)NC(C)C)cc(=O)oc2c1
InChIInChI=1S/C18H24N2O4/c1-11(2)19-18(20-12(3)4)23-10-13-8-17(21)24-16-9-14(22-5)6-7-15(13)16/h6-9,11-12H,10H2,1-5H3,(H,19,20)
InChIKeyOKFXDYUUDYXJRE-UHFFFAOYSA-N
XLogP3.08
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate (CID 12924895) is (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate is COc1ccc2c(CO/C(=N/C(C)C)NC(C)C)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate?
The InChIKey is OKFXDYUUDYXJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11(2)19-18(20-12(3)4)23-10-13-8-17(21)24-16-9-14(22-5)6-7-15(13)16/h6-9,11-12H,10H2,1-5H3,(H,19,20).
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate?
(7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate has a molecular weight of 332.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl N,N'-di(propan-2-yl)carbamimidate is sourced from PubChem (CID 12924895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).