methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate

C18H19ClN2O5 — CID 3550779

IUPACmethyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(Cl)ccc1OCCOc1cccc(OC)c1
InChIInChI=1S/C18H19ClN2O5/c1-23-15-4-3-5-16(11-15)25-8-9-26-17-7-6-14(19)10-13(17)12-20-21-18(22)24-2/h3-7,10-12H,8-9H2,1-2H3,(H,21,22)
InChIKeyAPSKDHWNLQSYBM-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.50
Rot. Bonds8

About methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate

methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate (PubChem CID 3550779) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate
PubChem CID3550779
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Namemethyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(Cl)ccc1OCCOc1cccc(OC)c1
InChIInChI=1S/C18H19ClN2O5/c1-23-15-4-3-5-16(11-15)25-8-9-26-17-7-6-14(19)10-13(17)12-20-21-18(22)24-2/h3-7,10-12H,8-9H2,1-2H3,(H,21,22)
InChIKeyAPSKDHWNLQSYBM-UHFFFAOYSA-N
XLogP3.50
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 4603346
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 3913512
ethyl N-[[5-chloro-2-[3-(4-chlorophenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 5142623
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 45146402
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
methyl N-[[3-chloro-5-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 3597102
N'-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8988867
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126259967
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3656998
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3840478
[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3559416

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate (CID 3550779) is methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate is COC(=O)NN=Cc1cc(Cl)ccc1OCCOc1cccc(OC)c1.
What is the InChIKey of methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
The InChIKey is APSKDHWNLQSYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-23-15-4-3-5-16(11-15)25-8-9-26-17-7-6-14(19)10-13(17)12-20-21-18(22)24-2/h3-7,10-12H,8-9H2,1-2H3,(H,21,22).
What are the key properties of methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate has a molecular weight of 378.81 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 3550779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).