N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide

C25H25NO3 — CID 59448548

IUPACN-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
SMILESO=C(C1Cc2cc(OCc3ccccc3)ccc21)N(CCO)Cc1ccccc1
InChIInChI=1S/C25H25NO3/c27-14-13-26(17-19-7-3-1-4-8-19)25(28)24-16-21-15-22(11-12-23(21)24)29-18-20-9-5-2-6-10-20/h1-12,15,24,27H,13-14,16-18H2
InChIKeyPRSSAJIGLZJBHJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.93
Rot. Bonds8

About N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide

N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide (PubChem CID 59448548) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
PubChem CID59448548
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
SMILESO=C(C1Cc2cc(OCc3ccccc3)ccc21)N(CCO)Cc1ccccc1
InChIInChI=1S/C25H25NO3/c27-14-13-26(17-19-7-3-1-4-8-19)25(28)24-16-21-15-22(11-12-23(21)24)29-18-20-9-5-2-6-10-20/h1-12,15,24,27H,13-14,16-18H2
InChIKeyPRSSAJIGLZJBHJ-UHFFFAOYSA-N
XLogP3.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide with MolForge

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 59448489
2-[benzyl-[(7R)-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]amino]acetic acid
CID 164641554
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 59448526
3-[[3-(2,6-dimethylphenyl)phenyl]methoxy]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 57325673
3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
CID 59448572
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593
N-benzyl-N-[2-(dimethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3545948
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
1-hydroxy-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19841196
2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
CID 18423744
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide (CID 59448548) is N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide is O=C(C1Cc2cc(OCc3ccccc3)ccc21)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
The InChIKey is PRSSAJIGLZJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-14-13-26(17-19-7-3-1-4-8-19)25(28)24-16-21-15-22(11-12-23(21)24)29-18-20-9-5-2-6-10-20/h1-12,15,24,27H,13-14,16-18H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide is sourced from PubChem (CID 59448548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).