1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea

C16H26N2O4 — CID 56795144

IUPAC1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea
SMILESCCC(C)C(CO)NC(=O)Nc1cccc(OCCOC)c1
InChIInChI=1S/C16H26N2O4/c1-4-12(2)15(11-19)18-16(20)17-13-6-5-7-14(10-13)22-9-8-21-3/h5-7,10,12,15,19H,4,8-9,11H2,1-3H3,(H2,17,18,20)
InChIKeyMBPGQCHIRWXLLT-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.24
Rot. Bonds9

About 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea

1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea (PubChem CID 56795144) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea
PubChem CID56795144
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea
SMILESCCC(C)C(CO)NC(=O)Nc1cccc(OCCOC)c1
InChIInChI=1S/C16H26N2O4/c1-4-12(2)15(11-19)18-16(20)17-13-6-5-7-14(10-13)22-9-8-21-3/h5-7,10,12,15,19H,4,8-9,11H2,1-3H3,(H2,17,18,20)
InChIKeyMBPGQCHIRWXLLT-UHFFFAOYSA-N
XLogP2.24
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.24
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-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
CID 95583256
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(2-methoxyethoxy)phenyl]urea
CID 87010141
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 87029683
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
1-[(3R)-4-methylpent-1-yn-3-yl]-3-(3-propoxyphenyl)urea
CID 124885324

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea?
The IUPAC name of 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea (CID 56795144) is 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea is CCC(C)C(CO)NC(=O)Nc1cccc(OCCOC)c1.
What is the InChIKey of 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea?
The InChIKey is MBPGQCHIRWXLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-12(2)15(11-19)18-16(20)17-13-6-5-7-14(10-13)22-9-8-21-3/h5-7,10,12,15,19H,4,8-9,11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea?
1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea has a molecular weight of 310.39 g/mol, XLogP of 2.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea is sourced from PubChem (CID 56795144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).