1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea

C16H17N3O5 — CID 38283759

IUPAC1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
SMILESCOc1ccccc1[C@@H](O)CNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5/c1-24-15-8-3-2-7-13(15)14(20)10-17-16(21)18-11-5-4-6-12(9-11)19(22)23/h2-9,14,20H,10H2,1H3,(H2,17,18,21)/t14-/m0/s1
InChIKeyLXFIDSIYURRYLS-AWEZNQCLSA-N
MW331.33 g/mol
LogP2.46
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea

1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea (PubChem CID 38283759) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
PubChem CID38283759
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
SMILESCOc1ccccc1[C@@H](O)CNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O5/c1-24-15-8-3-2-7-13(15)14(20)10-17-16(21)18-11-5-4-6-12(9-11)19(22)23/h2-9,14,20H,10H2,1H3,(H2,17,18,21)/t14-/m0/s1
InChIKeyLXFIDSIYURRYLS-AWEZNQCLSA-N
XLogP2.46
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 47033484
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
1-[2-(dimethylamino)-3-methylbutyl]-3-(3-nitrophenyl)urea
CID 42939776
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 46445537
1-[2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 19649684
1-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-(3-nitrophenyl)urea
CID 31772940
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108903915
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
2-hydroxy-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-[(3-nitrophenyl)sulfonylamino]benzamide
CID 42959841
1-(3-hydroxypentyl)-3-(3-nitrophenyl)urea
CID 115701849
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-nitrophenyl)urea
CID 27734408

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea (CID 38283759) is 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea is COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea?
The InChIKey is LXFIDSIYURRYLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-24-15-8-3-2-7-13(15)14(20)10-17-16(21)18-11-5-4-6-12(9-11)19(22)23/h2-9,14,20H,10H2,1H3,(H2,17,18,21)/t14-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea?
1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea has a molecular weight of 331.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea is sourced from PubChem (CID 38283759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).