[3-[2-(dimethylamino)ethoxy]phenyl]methylurea

C12H19N3O2 — CID 91413450

IUPAC[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
SMILESCN(C)CCOc1cccc(CNC(N)=O)c1
InChIInChI=1S/C12H19N3O2/c1-15(2)6-7-17-11-5-3-4-10(8-11)9-14-12(13)16/h3-5,8H,6-7,9H2,1-2H3,(H3,13,14,16)
InChIKeyDYYDWWWFWVEAQE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds6

About [3-[2-(dimethylamino)ethoxy]phenyl]methylurea

[3-[2-(dimethylamino)ethoxy]phenyl]methylurea (PubChem CID 91413450) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethoxy]phenyl]methylurea.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
PubChem CID91413450
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
SMILESCN(C)CCOc1cccc(CNC(N)=O)c1
InChIInChI=1S/C12H19N3O2/c1-15(2)6-7-17-11-5-3-4-10(8-11)9-14-12(13)16/h3-5,8H,6-7,9H2,1-2H3,(H3,13,14,16)
InChIKeyDYYDWWWFWVEAQE-UHFFFAOYSA-N
XLogP0.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
CID 120595243
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 60545308
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111245291
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60545485
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60545218
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837498
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119845730
2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
CID 55338836

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethoxy]phenyl]methylurea?
The IUPAC name of [3-[2-(dimethylamino)ethoxy]phenyl]methylurea (CID 91413450) is [3-[2-(dimethylamino)ethoxy]phenyl]methylurea.
What is the SMILES notation for [3-[2-(dimethylamino)ethoxy]phenyl]methylurea?
The canonical SMILES for [3-[2-(dimethylamino)ethoxy]phenyl]methylurea is CN(C)CCOc1cccc(CNC(N)=O)c1.
What is the InChIKey of [3-[2-(dimethylamino)ethoxy]phenyl]methylurea?
The InChIKey is DYYDWWWFWVEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)6-7-17-11-5-3-4-10(8-11)9-14-12(13)16/h3-5,8H,6-7,9H2,1-2H3,(H3,13,14,16).
What are the key properties of [3-[2-(dimethylamino)ethoxy]phenyl]methylurea?
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea has a molecular weight of 237.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethoxy]phenyl]methylurea is sourced from PubChem (CID 91413450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).