methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate

C16H18N2O2 — CID 162663131

IUPACmethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-18(2)15-9-7-12(8-10-15)13-5-4-6-14(11-13)17-16(19)20-3/h4-11H,1-3H3,(H,17,19)
InChIKeyWGVGCMWDOQKUIL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.60
Rot. Bonds3

About methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate

methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate (PubChem CID 162663131) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
PubChem CID162663131
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-18(2)15-9-7-12(8-10-15)13-5-4-6-14(11-13)17-16(19)20-3/h4-11H,1-3H3,(H,17,19)
InChIKeyWGVGCMWDOQKUIL-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate (CID 162663131) is methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate is COC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
The InChIKey is WGVGCMWDOQKUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(2)15-9-7-12(8-10-15)13-5-4-6-14(11-13)17-16(19)20-3/h4-11H,1-3H3,(H,17,19).
What are the key properties of methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate is sourced from PubChem (CID 162663131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).