1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea

C20H23N3O2 — CID 47050200

IUPAC1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea
SMILESCCN(C(=O)NCc1ccccc1OC)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C20H23N3O2/c1-4-23(15(2)17-11-9-16(13-21)10-12-17)20(24)22-14-18-7-5-6-8-19(18)25-3/h5-12,15H,4,14H2,1-3H3,(H,22,24)
InChIKeySKEJEMAQMHRHSA-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.86
Rot. Bonds6

About 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea

1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 47050200) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea
PubChem CID47050200
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea
SMILESCCN(C(=O)NCc1ccccc1OC)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C20H23N3O2/c1-4-23(15(2)17-11-9-16(13-21)10-12-17)20(24)22-14-18-7-5-6-8-19(18)25-3/h5-12,15H,4,14H2,1-3H3,(H,22,24)
InChIKeySKEJEMAQMHRHSA-UHFFFAOYSA-N
XLogP3.86
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
CID 43191524
2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856174
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984078
3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113146965
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
3-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97099117
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
2-[ethyl-[(2-methoxyphenyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820544

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea (CID 47050200) is 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea is CCN(C(=O)NCc1ccccc1OC)C(C)c1ccc(C#N)cc1.
What is the InChIKey of 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is SKEJEMAQMHRHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-23(15(2)17-11-9-16(13-21)10-12-17)20(24)22-14-18-7-5-6-8-19(18)25-3/h5-12,15H,4,14H2,1-3H3,(H,22,24).
What are the key properties of 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea?
1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 337.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 47050200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).