ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate

C14H20N2O3 — CID 9075932

IUPACethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-5-18-14(17)16-15-11(4)12-6-8-13(9-7-12)19-10(2)3/h6-10H,5H2,1-4H3,(H,16,17)/b15-11-
InChIKeyQPROEHVFRGYMFW-PTNGSMBKSA-N
MW264.32 g/mol
LogP2.94
Rot. Bonds5

About ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate

ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate (PubChem CID 9075932) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
PubChem CID9075932
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-5-18-14(17)16-15-11(4)12-6-8-13(9-7-12)19-10(2)3/h6-10H,5H2,1-4H3,(H,16,17)/b15-11-
InChIKeyQPROEHVFRGYMFW-PTNGSMBKSA-N
XLogP2.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 4573633
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6113890
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807
ethyl N-[1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]ethylideneamino]carbamate
CID 88711045
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate (CID 9075932) is ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate?
The InChIKey is QPROEHVFRGYMFW-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-18-14(17)16-15-11(4)12-6-8-13(9-7-12)19-10(2)3/h6-10H,5H2,1-4H3,(H,16,17)/b15-11-.
What are the key properties of ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate?
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 9075932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).