(4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate

C12H16N2O3 — CID 153425192

IUPAC(4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate
SMILESCOc1ccc(OC(=O)/N=C(/C)N(C)C)cc1
InChIInChI=1S/C12H16N2O3/c1-9(14(2)3)13-12(15)17-11-7-5-10(16-4)6-8-11/h5-8H,1-4H3/b13-9-
InChIKeyJAWOOTJNLFRDCC-LCYFTJDESA-N
MW236.27 g/mol
LogP2.17
Rot. Bonds2

About (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate

(4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate (PubChem CID 153425192) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate
PubChem CID153425192
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate
SMILESCOc1ccc(OC(=O)/N=C(/C)N(C)C)cc1
InChIInChI=1S/C12H16N2O3/c1-9(14(2)3)13-12(15)17-11-7-5-10(16-4)6-8-11/h5-8H,1-4H3/b13-9-
InChIKeyJAWOOTJNLFRDCC-LCYFTJDESA-N
XLogP2.17
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 19016633
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bis(4-methoxyphenyl) propanedioate
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(4-methoxyphenyl) 2-oxoacetate
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(4-methoxyphenyl) (NE)-N-[amino-[4-[5-[4-[(E)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
CID 6476093
ethyl N-(4-methoxyphenoxy)carbonyl-4,4-dimethyl-3-oxopentanimidate
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4-methoxy-N-methyl-N-oxidobenzamide
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4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
phenyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754860
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
The IUPAC name of (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate (CID 153425192) is (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate.
What is the SMILES notation for (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
The canonical SMILES for (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate is COc1ccc(OC(=O)/N=C(/C)N(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
The InChIKey is JAWOOTJNLFRDCC-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(14(2)3)13-12(15)17-11-7-5-10(16-4)6-8-11/h5-8H,1-4H3/b13-9-.
What are the key properties of (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
(4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate has a molecular weight of 236.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) (NZ)-N-[1-(dimethylamino)ethylidene]carbamate is sourced from PubChem (CID 153425192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).