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

C17H20N2O2 — CID 162644265

IUPACethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-4-21-17(20)18-15-7-5-6-14(12-15)13-8-10-16(11-9-13)19(2)3/h5-12H,4H2,1-3H3,(H,18,20)
InChIKeyYEAZHIXNRZYZFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.99
Rot. Bonds4

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

ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate (PubChem CID 162644265) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
PubChem CID162644265
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-4-21-17(20)18-15-7-5-6-14(12-15)13-8-10-16(11-9-13)19(2)3/h5-12H,4H2,1-3H3,(H,18,20)
InChIKeyYEAZHIXNRZYZFW-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate (CID 162644265) is ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
The InChIKey is YEAZHIXNRZYZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-21-17(20)18-15-7-5-6-14(12-15)13-8-10-16(11-9-13)19(2)3/h5-12H,4H2,1-3H3,(H,18,20).
What are the key properties of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate?
ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate is sourced from PubChem (CID 162644265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).