1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C19H31N3O3 — CID 108890764

IUPAC1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCOc1ccc(OCNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O3/c1-6-24-15-7-9-16(10-8-15)25-13-20-17(23)21-14-11-18(2,3)22-19(4,5)12-14/h7-10,14,22H,6,11-13H2,1-5H3,(H2,20,21,23)
InChIKeyACUMKSMBWKEBOG-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.03
Rot. Bonds6

About 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 108890764) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID108890764
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCOc1ccc(OCNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O3/c1-6-24-15-7-9-16(10-8-15)25-13-20-17(23)21-14-11-18(2,3)22-19(4,5)12-14/h7-10,14,22H,6,11-13H2,1-5H3,(H2,20,21,23)
InChIKeyACUMKSMBWKEBOG-UHFFFAOYSA-N
XLogP3.03
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
2-(4-ethoxyphenoxy)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 17487738
1-(1,1-dioxothiolan-3-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890802
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
1-(1-benzylpiperidin-4-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890906
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613
1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111337745
4-amino-N-[(4-ethoxyphenoxy)methyl]-2,2,6,6-tetramethylpiperidine-1-carboxamide
CID 108890763
1-(2-chloroethyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890702
1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 126454365

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 108890764) is 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CCOc1ccc(OCNC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is ACUMKSMBWKEBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-24-15-7-9-16(10-8-15)25-13-20-17(23)21-14-11-18(2,3)22-19(4,5)12-14/h7-10,14,22H,6,11-13H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 349.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 108890764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).