1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea

C14H22N2O3 — CID 108884584

IUPAC1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCCOc1ccc(CNC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-4-19-12-7-5-11(6-8-12)9-15-13(18)16-14(2,3)10-17/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16,18)
InChIKeyHZRVJNKAXKHRPB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.66
Rot. Bonds6

About 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 108884584) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID108884584
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCCOc1ccc(CNC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-4-19-12-7-5-11(6-8-12)9-15-13(18)16-14(2,3)10-17/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16,18)
InChIKeyHZRVJNKAXKHRPB-UHFFFAOYSA-N
XLogP1.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 110774966
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 110774962
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
CID 104857620
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 108884584) is 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea is CCOc1ccc(CNC(=O)NC(C)(C)CO)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is HZRVJNKAXKHRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-12-7-5-11(6-8-12)9-15-13(18)16-14(2,3)10-17/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 108884584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).