1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea

C19H24N2O2 — CID 970476

IUPAC1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccccc2[C@H](C)CC)cc1
InChIInChI=1S/C19H24N2O2/c1-4-14(3)17-8-6-7-9-18(17)21-19(22)20-15-10-12-16(13-11-15)23-5-2/h6-14H,4-5H2,1-3H3,(H2,20,21,22)/t14-/m1/s1
InChIKeyXOZOWJHKHQVUHT-CQSZACIVSA-N
MW312.41 g/mol
LogP5.24
Rot. Bonds6

About 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea

1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea (PubChem CID 970476) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
PubChem CID970476
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccccc2[C@H](C)CC)cc1
InChIInChI=1S/C19H24N2O2/c1-4-14(3)17-8-6-7-9-18(17)21-19(22)20-15-10-12-16(13-11-15)23-5-2/h6-14H,4-5H2,1-3H3,(H2,20,21,22)/t14-/m1/s1
InChIKeyXOZOWJHKHQVUHT-CQSZACIVSA-N
XLogP5.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751744
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8905168
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 959855

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea (CID 970476) is 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2ccccc2[C@H](C)CC)cc1.
What is the InChIKey of 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is XOZOWJHKHQVUHT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-14(3)17-8-6-7-9-18(17)21-19(22)20-15-10-12-16(13-11-15)23-5-2/h6-14H,4-5H2,1-3H3,(H2,20,21,22)/t14-/m1/s1.
What are the key properties of 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea?
1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 970476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).