butyl N-(4-methyl-2-oxochromen-7-yl)carbamate

C15H17NO4 — CID 3690863

IUPACbutyl N-(4-methyl-2-oxochromen-7-yl)carbamate
SMILESCCCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H17NO4/c1-3-4-7-19-15(18)16-11-5-6-12-10(2)8-14(17)20-13(12)9-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyCSXPJRRENBGSLI-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.45
Rot. Bonds4

About butyl N-(4-methyl-2-oxochromen-7-yl)carbamate

butyl N-(4-methyl-2-oxochromen-7-yl)carbamate (PubChem CID 3690863) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is butyl N-(4-methyl-2-oxochromen-7-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(4-methyl-2-oxochromen-7-yl)carbamate
PubChem CID3690863
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namebutyl N-(4-methyl-2-oxochromen-7-yl)carbamate
SMILESCCCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H17NO4/c1-3-4-7-19-15(18)16-11-5-6-12-10(2)8-14(17)20-13(12)9-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyCSXPJRRENBGSLI-UHFFFAOYSA-N
XLogP3.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2,3,3-trimethylbutyl] N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 146254066
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
1-heptyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650890
1-(4-methyl-2-oxochromen-7-yl)-3-nonylthiourea
CID 19651148
4-methyl-7-(pentylamino)chromen-2-one
CID 88996425
1,1-dihexyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19653426
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768

Frequently Asked Questions

What is the IUPAC name of butyl N-(4-methyl-2-oxochromen-7-yl)carbamate?
The IUPAC name of butyl N-(4-methyl-2-oxochromen-7-yl)carbamate (CID 3690863) is butyl N-(4-methyl-2-oxochromen-7-yl)carbamate.
What is the SMILES notation for butyl N-(4-methyl-2-oxochromen-7-yl)carbamate?
The canonical SMILES for butyl N-(4-methyl-2-oxochromen-7-yl)carbamate is CCCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of butyl N-(4-methyl-2-oxochromen-7-yl)carbamate?
The InChIKey is CSXPJRRENBGSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-4-7-19-15(18)16-11-5-6-12-10(2)8-14(17)20-13(12)9-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of butyl N-(4-methyl-2-oxochromen-7-yl)carbamate?
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate has a molecular weight of 275.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(4-methyl-2-oxochromen-7-yl)carbamate is sourced from PubChem (CID 3690863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).