[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate

C18H22N2O3 — CID 169013825

IUPAC[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-19-18(21)23-17-11-9-16(10-12-17)22-14-6-13-20(2)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21)
InChIKeyPUWXKUUYJCDKPK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.31
Rot. Bonds7

About [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate

[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate (PubChem CID 169013825) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
PubChem CID169013825
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(OCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-19-18(21)23-17-11-9-16(10-12-17)22-14-6-13-20(2)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21)
InChIKeyPUWXKUUYJCDKPK-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate 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

[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate
CID 170073744
(4-docosoxyphenyl) N-methylcarbamate
CID 172715138
N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
CID 15871812
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
4-[3-(4-bromo-N-methylanilino)propoxy]benzoic acid
CID 14882909
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
[4-[2-[N-[2-(4-acetyloxyphenoxy)ethyl]anilino]ethoxy]phenyl] acetate
CID 71736094
2-(N-methylanilino)ethyl (4-phenylphenyl) carbonate
CID 54270905
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
CID 178089831

Frequently Asked Questions

What is the IUPAC name of [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate?
The IUPAC name of [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate (CID 169013825) is [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate.
What is the SMILES notation for [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate?
The canonical SMILES for [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(OCCCN(C)c2ccccc2)cc1.
What is the InChIKey of [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate?
The InChIKey is PUWXKUUYJCDKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19-18(21)23-17-11-9-16(10-12-17)22-14-6-13-20(2)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21).
What are the key properties of [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate?
[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate has a molecular weight of 314.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate is sourced from PubChem (CID 169013825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).