ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate

C19H22N2O3 — CID 3344423

IUPACethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
SMILESCCOC(=O)CCCNC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-24-18(22)9-6-14-20-19(23)21-17-12-10-16(11-13-17)15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H2,20,21,23)
InChIKeyFXXNZMMQTWZKCF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.82
Rot. Bonds7

About ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate

ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate (PubChem CID 3344423) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
PubChem CID3344423
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
SMILESCCOC(=O)CCCNC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-24-18(22)9-6-14-20-19(23)21-17-12-10-16(11-13-17)15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H2,20,21,23)
InChIKeyFXXNZMMQTWZKCF-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
CID 38882652
ethyl 4-[(4-methylsulfanylphenyl)carbamoylamino]butanoate
CID 3705262
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
[2-oxo-2-(4-phenylanilino)ethyl] pentanoate
CID 2628922
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
ethyl 4-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate
CID 3799100
ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
CID 119290928
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate?
The IUPAC name of ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate (CID 3344423) is ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate.
What is the SMILES notation for ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate?
The canonical SMILES for ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate is CCOC(=O)CCCNC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate?
The InChIKey is FXXNZMMQTWZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-18(22)9-6-14-20-19(23)21-17-12-10-16(11-13-17)15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate?
ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate has a molecular weight of 326.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate is sourced from PubChem (CID 3344423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).