N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide

C24H24N2O5 — CID 67659630

IUPACN-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
SMILESCC(c1cccc(C(=O)NCCO)c1)c1cc([N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-17(19-8-5-9-20(14-19)24(28)25-12-13-27)22-15-21(26(29)30)10-11-23(22)31-16-18-6-3-2-4-7-18/h2-11,14-15,17,27H,12-13,16H2,1H3,(H,25,28)
InChIKeyJTUUESMZUVCPPU-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.05
Rot. Bonds9

About N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide

N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide (PubChem CID 67659630) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
PubChem CID67659630
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
SMILESCC(c1cccc(C(=O)NCCO)c1)c1cc([N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-17(19-8-5-9-20(14-19)24(28)25-12-13-27)22-15-21(26(29)30)10-11-23(22)31-16-18-6-3-2-4-7-18/h2-11,14-15,17,27H,12-13,16H2,1H3,(H,25,28)
InChIKeyJTUUESMZUVCPPU-UHFFFAOYSA-N
XLogP4.05
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
CID 23209938
3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide
CID 67659697
benzyl N-[(1R)-2-(2-hydroxyethylamino)-1-(3-nitrophenyl)-2-oxoethyl]carbamate
CID 141350715
3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide
CID 55408434
3-[(2-chloro-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 52688047
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
CID 104890071
N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitrobenzamide
CID 8781305
benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
CID 159867528
4-nitro-2-[(5-nitro-2-phenylmethoxyphenyl)disulfanyl]-1-phenylmethoxybenzene
CID 4985783
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
N-benzyl-3-nitro(11C)benzamide
CID 71606846
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide (CID 67659630) is N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide is CC(c1cccc(C(=O)NCCO)c1)c1cc([N+](=O)[O-])ccc1OCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
The InChIKey is JTUUESMZUVCPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-17(19-8-5-9-20(14-19)24(28)25-12-13-27)22-15-21(26(29)30)10-11-23(22)31-16-18-6-3-2-4-7-18/h2-11,14-15,17,27H,12-13,16H2,1H3,(H,25,28).
What are the key properties of N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 67659630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).