methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate

C13H18N2O2 — CID 5002814

IUPACmethyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
SMILESCCCc1ccc(C(C)=NNC(=O)OC)cc1
InChIInChI=1S/C13H18N2O2/c1-4-5-11-6-8-12(9-7-11)10(2)14-15-13(16)17-3/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyMBVIXOMWNZAIHS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.72
Rot. Bonds4

About methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate

methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate (PubChem CID 5002814) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
PubChem CID5002814
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
SMILESCCCc1ccc(C(C)=NNC(=O)OC)cc1
InChIInChI=1S/C13H18N2O2/c1-4-5-11-6-8-12(9-7-11)10(2)14-15-13(16)17-3/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyMBVIXOMWNZAIHS-UHFFFAOYSA-N
XLogP2.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
CID 4173019
2-phenyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 6262359
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
2-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6113890
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate?
The IUPAC name of methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate (CID 5002814) is methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate?
The canonical SMILES for methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate is CCCc1ccc(C(C)=NNC(=O)OC)cc1.
What is the InChIKey of methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate?
The InChIKey is MBVIXOMWNZAIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-5-11-6-8-12(9-7-11)10(2)14-15-13(16)17-3/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate?
methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 5002814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).