1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea

C19H25N3O2 — CID 95178027

IUPAC1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(CC[C@@H](C)NC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(6-7-16-8-10-18(24-2)11-9-16)22-19(23)21-14-12-17-5-3-4-13-20-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyJHFXYXIVIIRMQN-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.95
Rot. Bonds8

About 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea

1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 95178027) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID95178027
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(CC[C@@H](C)NC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(6-7-16-8-10-18(24-2)11-9-16)22-19(23)21-14-12-17-5-3-4-13-20-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyJHFXYXIVIIRMQN-OAHLLOKOSA-N
XLogP2.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 51095218
1-[4-(4-methoxyphenyl)butan-2-yl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 51096149
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95135121
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea (CID 95178027) is 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea is COc1ccc(CC[C@@H](C)NC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is JHFXYXIVIIRMQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(6-7-16-8-10-18(24-2)11-9-16)22-19(23)21-14-12-17-5-3-4-13-20-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H2,21,22,23)/t15-/m1/s1.
What are the key properties of 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 95178027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).