ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate

C16H21NO3 — CID 2999916

IUPACethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)C1CCCCC1=O
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18/h3-5,8-9,13,15H,2,6-7,10-11H2,1H3,(H,17,19)
InChIKeyCFECQZGWBFNSPO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.23
Rot. Bonds4

About ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate

ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate (PubChem CID 2999916) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate
PubChem CID2999916
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)C1CCCCC1=O
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18/h3-5,8-9,13,15H,2,6-7,10-11H2,1H3,(H,17,19)
InChIKeyCFECQZGWBFNSPO-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
The IUPAC name of ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate (CID 2999916) is ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate.
What is the SMILES notation for ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
The canonical SMILES for ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate is CCOC(=O)NC(c1ccccc1)C1CCCCC1=O.
What is the InChIKey of ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
The InChIKey is CFECQZGWBFNSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-16(19)17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18/h3-5,8-9,13,15H,2,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate is sourced from PubChem (CID 2999916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).