N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide

C21H21NO2 — CID 91393972

IUPACN,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide
SMILESO=C(C1=CC=CCC1O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21NO2/c23-20-14-8-7-13-19(20)21(24)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-13,20,23H,14-16H2
InChIKeyNOLSGQKRIMPGLR-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.46
Rot. Bonds5

About N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide

N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 91393972) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide
PubChem CID91393972
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide
SMILESO=C(C1=CC=CCC1O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21NO2/c23-20-14-8-7-13-19(20)21(24)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-13,20,23H,14-16H2
InChIKeyNOLSGQKRIMPGLR-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-dibenzylfuran-2-carboxamide
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benzyl(cyclopropylmethyl)carbamic acid
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N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
1-N,2-N,2-N-tribenzylcyclohex-4-ene-1,2-dicarboxamide
CID 19133731
1-N,1-N,3-N,3-N-tetrabenzyl-2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide
CID 3094070
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
N,N-dibenzylcycloheptene-1-carboxamide
CID 101069096
N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide
CID 152798199
N,N-dibenzylcyclohexanecarboxamide
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CID 60666282

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide (CID 91393972) is N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide is O=C(C1=CC=CCC1O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide?
The InChIKey is NOLSGQKRIMPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-20-14-8-7-13-19(20)21(24)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-13,20,23H,14-16H2.
What are the key properties of N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide?
N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-hydroxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 91393972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).