N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide

C26H29N3O3 — CID 123850185

IUPACN-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide
SMILESCc1cc(C(C[C@H](c2ccc(CC(=O)NCCO)cc2)c2ccccc2C)N=O)ccn1
InChIInChI=1S/C26H29N3O3/c1-18-5-3-4-6-23(18)24(17-25(29-32)22-11-12-27-19(2)15-22)21-9-7-20(8-10-21)16-26(31)28-13-14-30/h3-12,15,24-25,30H,13-14,16-17H2,1-2H3,(H,28,31)/t24-,25?/m1/s1
InChIKeyYXYBJTFATJBOGF-IKOFQBKESA-N
MW431.54 g/mol
LogP4.38
Rot. Bonds10

About N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide

N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide (PubChem CID 123850185) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide
PubChem CID123850185
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide
SMILESCc1cc(C(C[C@H](c2ccc(CC(=O)NCCO)cc2)c2ccccc2C)N=O)ccn1
InChIInChI=1S/C26H29N3O3/c1-18-5-3-4-6-23(18)24(17-25(29-32)22-11-12-27-19(2)15-22)21-9-7-20(8-10-21)16-26(31)28-13-14-30/h3-12,15,24-25,30H,13-14,16-17H2,1-2H3,(H,28,31)/t24-,25?/m1/s1
InChIKeyYXYBJTFATJBOGF-IKOFQBKESA-N
XLogP4.38
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-nitrosopropyl]-2-methylpyridine
CID 91898731
4-[[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 123710048
2-[5-[4-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 123671528
N-(2-hydroxyethyl)-4-[(1R)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzamide
CID 154041480
2-(2-methoxyethyl)-5-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]-1,3,4-oxadiazole
CID 123347684
N-(2-hydroxyethyl)-4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-2-nitrosopropyl]benzamide
CID 123243417
(1R)-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-ol
CID 67015665
2-[4-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 123400642
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
CID 67015695
[4-[1-(2,4-difluorophenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]-morpholin-4-ylmethanone
CID 123721834
tert-butyl 4-[4-[1-(4-chloro-2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]piperidine-1-carboxylate
CID 123979724
N-(2-hydroxyethyl)-4-[3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]-N-methylbenzamide
CID 173039080

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide (CID 123850185) is N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide is Cc1cc(C(C[C@H](c2ccc(CC(=O)NCCO)cc2)c2ccccc2C)N=O)ccn1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide?
The InChIKey is YXYBJTFATJBOGF-IKOFQBKESA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18-5-3-4-6-23(18)24(17-25(29-32)22-11-12-27-19(2)15-22)21-9-7-20(8-10-21)16-26(31)28-13-14-30/h3-12,15,24-25,30H,13-14,16-17H2,1-2H3,(H,28,31)/t24-,25?/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide?
N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[(1R)-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-nitrosopropyl]phenyl]acetamide is sourced from PubChem (CID 123850185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).