[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate

C23H28N2O5 — CID 163320636

IUPAC[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)N(CC)CC)c1
InChIInChI=1S/C23H28N2O5/c1-5-24(6-2)22(27)29-18-14-15-19(21(26)17-12-10-9-11-13-17)20(16-18)30-23(28)25(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyXNLUEDCMQJNOAH-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.60
Rot. Bonds8

About [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate

[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate (PubChem CID 163320636) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
PubChem CID163320636
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)N(CC)CC)c1
InChIInChI=1S/C23H28N2O5/c1-5-24(6-2)22(27)29-18-14-15-19(21(26)17-12-10-9-11-13-17)20(16-18)30-23(28)25(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyXNLUEDCMQJNOAH-UHFFFAOYSA-N
XLogP4.60
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
CID 22935826
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998
[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate
CID 155545014
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
4-benzoyl-3-butoxybenzoic acid
CID 21440121
[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate
CID 163320694
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(2,3-dihydroxyphenyl) N,N-diethylcarbamate
CID 131845695

Frequently Asked Questions

What is the IUPAC name of [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate (CID 163320636) is [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)N(CC)CC)c1.
What is the InChIKey of [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
The InChIKey is XNLUEDCMQJNOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-5-24(6-2)22(27)29-18-14-15-19(21(26)17-12-10-9-11-13-17)20(16-18)30-23(28)25(7-3)8-4/h9-16H,5-8H2,1-4H3.
What are the key properties of [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate has a molecular weight of 412.49 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 163320636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).