1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

C16H26N2O3 — CID 111338222

IUPAC1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCOc1ccccc1CNC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-5-21-13-9-7-6-8-12(13)10-17-15(20)18-11-14(19)16(2,3)4/h6-9,14,19H,5,10-11H2,1-4H3,(H2,17,18,20)
InChIKeyUPVYWCPRKDNAPR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.29
Rot. Bonds6

About 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (PubChem CID 111338222) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
PubChem CID111338222
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCOc1ccccc1CNC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-5-21-13-9-7-6-8-12(13)10-17-15(20)18-11-14(19)16(2,3)4/h6-9,14,19H,5,10-11H2,1-4H3,(H2,17,18,20)
InChIKeyUPVYWCPRKDNAPR-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111119483
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389858
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111115085
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (CID 111338222) is 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is CCOc1ccccc1CNC(=O)NCC(O)C(C)(C)C.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The InChIKey is UPVYWCPRKDNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-21-13-9-7-6-8-12(13)10-17-15(20)18-11-14(19)16(2,3)4/h6-9,14,19H,5,10-11H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is sourced from PubChem (CID 111338222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).