1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea

C18H22N2O2 — CID 40635808

IUPAC1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H](CC)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-17(14-8-6-5-7-9-14)20-18(21)19-15-10-12-16(13-11-15)22-4-2/h5-13,17H,3-4H2,1-2H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyINYXKLOUYNFLLW-KRWDZBQOSA-N
MW298.39 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea

1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea (PubChem CID 40635808) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
PubChem CID40635808
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H](CC)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-17(14-8-6-5-7-9-14)20-18(21)19-15-10-12-16(13-11-15)22-4-2/h5-13,17H,3-4H2,1-2H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyINYXKLOUYNFLLW-KRWDZBQOSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 6958648
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
CID 7375064
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea (CID 40635808) is 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea is CCOc1ccc(NC(=O)N[C@@H](CC)c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea?
The InChIKey is INYXKLOUYNFLLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-17(14-8-6-5-7-9-14)20-18(21)19-15-10-12-16(13-11-15)22-4-2/h5-13,17H,3-4H2,1-2H3,(H2,19,20,21)/t17-/m0/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea?
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea has a molecular weight of 298.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea is sourced from PubChem (CID 40635808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).