1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea

C23H25N3O3 — CID 166209637

IUPAC1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCOc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-26(16-4-5-18-7-11-20(28-2)12-8-18)23(27)25-19-9-13-21(14-10-19)29-22-6-3-15-24-17-22/h3,6-15,17H,4-5,16H2,1-2H3,(H,25,27)
InChIKeyPDHNRCINJSOUTJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.98
Rot. Bonds8

About 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea

1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea (PubChem CID 166209637) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
PubChem CID166209637
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCOc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-26(16-4-5-18-7-11-20(28-2)12-8-18)23(27)25-19-9-13-21(14-10-19)29-22-6-3-15-24-17-22/h3,6-15,17H,4-5,16H2,1-2H3,(H,25,27)
InChIKeyPDHNRCINJSOUTJ-UHFFFAOYSA-N
XLogP4.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine
CID 170865971
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
CID 47039832
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 40718725
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride
CID 126805410
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825173
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
CID 97453287
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea (CID 166209637) is 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea is COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
The InChIKey is PDHNRCINJSOUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26(16-4-5-18-7-11-20(28-2)12-8-18)23(27)25-19-9-13-21(14-10-19)29-22-6-3-15-24-17-22/h3,6-15,17H,4-5,16H2,1-2H3,(H,25,27).
What are the key properties of 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea?
1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea has a molecular weight of 391.47 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 166209637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).