N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide

C23H30N2O3 — CID 25470768

IUPACN-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C23H30N2O3/c1-17-8-13-22(28-3)20(15-17)24-23(26)16-25-14-6-4-5-7-21(25)18-9-11-19(27-2)12-10-18/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyAVLBFNVMRXMMPB-NRFANRHFSA-N
MW382.50 g/mol
LogP4.57
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide (PubChem CID 25470768) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
PubChem CID25470768
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C23H30N2O3/c1-17-8-13-22(28-3)20(15-17)24-23(26)16-25-14-6-4-5-7-21(25)18-9-11-19(27-2)12-10-18/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyAVLBFNVMRXMMPB-NRFANRHFSA-N
XLogP4.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 47060322
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9135005
N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41193840
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 11930996
N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
CID 9292689
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120758014
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46561434
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110919010

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide (CID 25470768) is N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide is COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The InChIKey is AVLBFNVMRXMMPB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-8-13-22(28-3)20(15-17)24-23(26)16-25-14-6-4-5-7-21(25)18-9-11-19(27-2)12-10-18/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide is sourced from PubChem (CID 25470768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).