1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea

C21H21N3O2 — CID 95316666

IUPAC1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C21H21N3O2/c1-26-15-18-9-5-6-10-19(18)23-21(25)24-20(16-7-3-2-4-8-16)17-11-13-22-14-12-17/h2-14,20H,15H2,1H3,(H2,23,24,25)/t20-/m1/s1
InChIKeyLWTSWQREYHHWPD-HXUWFJFHSA-N
MW347.42 g/mol
LogP4.14
Rot. Bonds6

About 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea

1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea (PubChem CID 95316666) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
PubChem CID95316666
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C21H21N3O2/c1-26-15-18-9-5-6-10-19(18)23-21(25)24-20(16-7-3-2-4-8-16)17-11-13-22-14-12-17/h2-14,20H,15H2,1H3,(H2,23,24,25)/t20-/m1/s1
InChIKeyLWTSWQREYHHWPD-HXUWFJFHSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
CID 95297580
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 82847223
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea (CID 95316666) is 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea is COCc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The InChIKey is LWTSWQREYHHWPD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-15-18-9-5-6-10-19(18)23-21(25)24-20(16-7-3-2-4-8-16)17-11-13-22-14-12-17/h2-14,20H,15H2,1H3,(H2,23,24,25)/t20-/m1/s1.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea has a molecular weight of 347.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea is sourced from PubChem (CID 95316666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).