methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate

C15H19NO5 — CID 122155305

IUPACmethyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)Nc1ccc(OCC2(C(=O)OC)CC2)cc1
InChIInChI=1S/C15H19NO5/c1-3-20-14(18)16-11-4-6-12(7-5-11)21-10-15(8-9-15)13(17)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyHRMNLRYNGDONOV-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.59
Rot. Bonds6

About methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate

methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate (PubChem CID 122155305) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate
PubChem CID122155305
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)Nc1ccc(OCC2(C(=O)OC)CC2)cc1
InChIInChI=1S/C15H19NO5/c1-3-20-14(18)16-11-4-6-12(7-5-11)21-10-15(8-9-15)13(17)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyHRMNLRYNGDONOV-UHFFFAOYSA-N
XLogP2.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
bis(ethyl N-(4-ethoxyphenyl)carbamate);octa-3,5-diyne-1,8-diol
CID 160807108
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate (CID 122155305) is methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate is CCOC(=O)Nc1ccc(OCC2(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate?
The InChIKey is HRMNLRYNGDONOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-20-14(18)16-11-4-6-12(7-5-11)21-10-15(8-9-15)13(17)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate?
methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(ethoxycarbonylamino)phenoxy]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 122155305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).