methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate

C13H16N2O3 — CID 54389739

IUPACmethyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-17-13(16)15-14-8-10-4-6-12(7-5-10)18-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,15,16)
InChIKeyVFTVBDARGDPEJH-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.17
Rot. Bonds5

About methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate

methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate (PubChem CID 54389739) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate
PubChem CID54389739
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-17-13(16)15-14-8-10-4-6-12(7-5-10)18-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,15,16)
InChIKeyVFTVBDARGDPEJH-UHFFFAOYSA-N
XLogP2.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.17
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

methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate
CID 7601967
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate (CID 54389739) is methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate is COC(=O)NN=Cc1ccc(OCC2CC2)cc1.
What is the InChIKey of methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate?
The InChIKey is VFTVBDARGDPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-13(16)15-14-8-10-4-6-12(7-5-10)18-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,15,16).
What are the key properties of methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate?
methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate has a molecular weight of 248.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate is sourced from PubChem (CID 54389739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).