1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea

C18H23N3O3 — CID 118776786

IUPAC1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea
SMILESCCCN(CCO)C(=O)Nc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-11-21(12-13-22)18(23)20-15-6-8-17(9-7-15)24-14-16-5-3-4-10-19-16/h3-10,22H,2,11-14H2,1H3,(H,20,23)
InChIKeyRFQPBMBNDJDIDW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.90
Rot. Bonds8

About 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea

1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea (PubChem CID 118776786) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea
PubChem CID118776786
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea
SMILESCCCN(CCO)C(=O)Nc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-11-21(12-13-22)18(23)20-15-6-8-17(9-7-15)24-14-16-5-3-4-10-19-16/h3-10,22H,2,11-14H2,1H3,(H,20,23)
InChIKeyRFQPBMBNDJDIDW-UHFFFAOYSA-N
XLogP2.90
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
(E)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616869
N-[6-(pyridin-2-ylmethoxy)naphthalen-2-yl]acetamide
CID 23356926
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
CID 108986506
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 72892352
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea (CID 118776786) is 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea is CCCN(CCO)C(=O)Nc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea?
The InChIKey is RFQPBMBNDJDIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-11-21(12-13-22)18(23)20-15-6-8-17(9-7-15)24-14-16-5-3-4-10-19-16/h3-10,22H,2,11-14H2,1H3,(H,20,23).
What are the key properties of 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea?
1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 118776786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).