butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate

C26H32N2O6 — CID 46182337

IUPACbutyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate
SMILESCCCCOC(=O)CNC(=O)Nc1ccc2c(c1)C=CC(C)(COCc1ccc(OC)cc1)O2
InChIInChI=1S/C26H32N2O6/c1-4-5-14-33-24(29)16-27-25(30)28-21-8-11-23-20(15-21)12-13-26(2,34-23)18-32-17-19-6-9-22(31-3)10-7-19/h6-13,15H,4-5,14,16-18H2,1-3H3,(H2,27,28,30)
InChIKeyJUHGPEANTNMPRU-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.54
Rot. Bonds11

About butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate

butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate (PubChem CID 46182337) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate.

Molecular Properties

Compound Namebutyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate
PubChem CID46182337
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Namebutyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate
SMILESCCCCOC(=O)CNC(=O)Nc1ccc2c(c1)C=CC(C)(COCc1ccc(OC)cc1)O2
InChIInChI=1S/C26H32N2O6/c1-4-5-14-33-24(29)16-27-25(30)28-21-8-11-23-20(15-21)12-13-26(2,34-23)18-32-17-19-6-9-22(31-3)10-7-19/h6-13,15H,4-5,14,16-18H2,1-3H3,(H2,27,28,30)
InChIKeyJUHGPEANTNMPRU-UHFFFAOYSA-N
XLogP4.54
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
CID 46182294
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11539216
pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate
CID 3431622
N-(1,1-dimethylinden-5-yl)-2-(4-methoxyphenyl)acetamide
CID 59921176
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
CID 142698899
butyl 4-(1,3-benzodioxol-5-ylmethylcarbamoylamino)benzoate
CID 3806623
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 5008005
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
CID 142698908

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate?
The IUPAC name of butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate (CID 46182337) is butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate.
What is the SMILES notation for butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate?
The canonical SMILES for butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate is CCCCOC(=O)CNC(=O)Nc1ccc2c(c1)C=CC(C)(COCc1ccc(OC)cc1)O2.
What is the InChIKey of butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate?
The InChIKey is JUHGPEANTNMPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-4-5-14-33-24(29)16-27-25(30)28-21-8-11-23-20(15-21)12-13-26(2,34-23)18-32-17-19-6-9-22(31-3)10-7-19/h6-13,15H,4-5,14,16-18H2,1-3H3,(H2,27,28,30).
What are the key properties of butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate?
butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate has a molecular weight of 468.55 g/mol, XLogP of 4.54, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate is sourced from PubChem (CID 46182337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).