3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea

C14H23N3O3 — CID 83110402

IUPAC3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCCOc1cc(CNCCNC(=O)N(C)C)ccc1O
InChIInChI=1S/C14H23N3O3/c1-4-20-13-9-11(5-6-12(13)18)10-15-7-8-16-14(19)17(2)3/h5-6,9,15,18H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyFDOUWHRXCMQDOL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.15
Rot. Bonds7

About 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea

3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea (PubChem CID 83110402) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
PubChem CID83110402
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCCOc1cc(CNCCNC(=O)N(C)C)ccc1O
InChIInChI=1S/C14H23N3O3/c1-4-20-13-9-11(5-6-12(13)18)10-15-7-8-16-14(19)17(2)3/h5-6,9,15,18H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyFDOUWHRXCMQDOL-UHFFFAOYSA-N
XLogP1.15
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
3-[2-[(3,4-dimethylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116011
6-[(3-ethoxy-4-hydroxyphenyl)methylamino]hexanoic acid
CID 82364313
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83117123
3-[2-[(3,4-dibromophenyl)methylamino]ethyl]-1,1-dimethylurea
CID 113483311
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
CID 84749361
methyl 4-[[2-(dimethylcarbamoylamino)ethylamino]methyl]benzoate
CID 83109550
2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 106413823

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea (CID 83110402) is 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea is CCOc1cc(CNCCNC(=O)N(C)C)ccc1O.
What is the InChIKey of 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
The InChIKey is FDOUWHRXCMQDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-20-13-9-11(5-6-12(13)18)10-15-7-8-16-14(19)17(2)3/h5-6,9,15,18H,4,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea has a molecular weight of 281.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83110402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).