methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride

C16H18ClNO2 — CID 173118829

IUPACmethyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride
SMILESCCN(C(=O)OC)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-3-17(16(18)19-2)15-11-9-14(10-12-15)13-7-5-4-6-8-13;/h4-12H,3H2,1-2H3;1H
InChIKeyPFBZBKDRCLRDDE-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.37
Rot. Bonds3

About methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride

methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride (PubChem CID 173118829) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride
PubChem CID173118829
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Namemethyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride
SMILESCCN(C(=O)OC)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-3-17(16(18)19-2)15-11-9-14(10-12-15)13-7-5-4-6-8-13;/h4-12H,3H2,1-2H3;1H
InChIKeyPFBZBKDRCLRDDE-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate
CID 151199082
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate
CID 115142268
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
propan-2-yl N-(4-phenylphenyl)-N-propylcarbamoperoxoate
CID 87794047
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
CID 119670324
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
methyl 2-[4-[ethyl(phenoxycarbonyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 3331167
methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420
methyl N-(2-amino-4-pyridinyl)-N-ethylcarbamate
CID 145083891

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride?
The IUPAC name of methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride (CID 173118829) is methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride.
What is the SMILES notation for methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride?
The canonical SMILES for methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride is CCN(C(=O)OC)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride?
The InChIKey is PFBZBKDRCLRDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-3-17(16(18)19-2)15-11-9-14(10-12-15)13-7-5-4-6-8-13;/h4-12H,3H2,1-2H3;1H.
What are the key properties of methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride?
methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride is sourced from PubChem (CID 173118829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).