1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea

C19H24N2O3 — CID 111337309

IUPAC1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
SMILESCC(O)CCNC(=O)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(22)11-12-20-19(23)21-13-14-24-18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyLXZQBEGATRUCRU-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.80
Rot. Bonds8

About 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea

1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea (PubChem CID 111337309) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
PubChem CID111337309
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
SMILESCC(O)CCNC(=O)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(22)11-12-20-19(23)21-13-14-24-18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyLXZQBEGATRUCRU-UHFFFAOYSA-N
XLogP2.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
CID 94817504
2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 2994239
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 110917179
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626268
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea (CID 111337309) is 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea is CC(O)CCNC(=O)NCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea?
The InChIKey is LXZQBEGATRUCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(22)11-12-20-19(23)21-13-14-24-18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea?
1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea is sourced from PubChem (CID 111337309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).