ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate

C22H20N2O3 — CID 46580788

IUPACethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-2-27-22(26)24-20-10-6-9-18(15-20)21(25)23-19-13-11-17(12-14-19)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyYKNYXHIPCNYFJB-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.17
Rot. Bonds5

About ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 46580788) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
PubChem CID46580788
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Nameethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-2-27-22(26)24-20-10-6-9-18(15-20)21(25)23-19-13-11-17(12-14-19)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyYKNYXHIPCNYFJB-UHFFFAOYSA-N
XLogP5.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
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ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
CID 45017389
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
3-[[3-(ethoxycarbonylamino)benzoyl]amino]butanoic acid
CID 146128644
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate (CID 46580788) is ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is YKNYXHIPCNYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-27-22(26)24-20-10-6-9-18(15-20)21(25)23-19-13-11-17(12-14-19)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 46580788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).