N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide

C28H31N3O5 — CID 55764627

IUPACN-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)N2CCCCCC2c2ccncc2)cc1OC
InChIInChI=1S/C28H31N3O5/c1-34-24-10-6-5-8-22(24)30-27(32)19-36-25-12-11-21(18-26(25)35-2)28(33)31-17-7-3-4-9-23(31)20-13-15-29-16-14-20/h5-6,8,10-16,18,23H,3-4,7,9,17,19H2,1-2H3,(H,30,32)
InChIKeyUBYAVCCJNKCMIS-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.87
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide

N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide (PubChem CID 55764627) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide
PubChem CID55764627
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC NameN-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)N2CCCCCC2c2ccncc2)cc1OC
InChIInChI=1S/C28H31N3O5/c1-34-24-10-6-5-8-22(24)30-27(32)19-36-25-12-11-21(18-26(25)35-2)28(33)31-17-7-3-4-9-23(31)20-13-15-29-16-14-20/h5-6,8,10-16,18,23H,3-4,7,9,17,19H2,1-2H3,(H,30,32)
InChIKeyUBYAVCCJNKCMIS-UHFFFAOYSA-N
XLogP4.87
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(azetidine-1-carbonyl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 17439322
methyl 1-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55513605
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55493114
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636493
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 17429655
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55339885
2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 99212282
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
2-[2-methoxy-4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 46649792

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide (CID 55764627) is N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccc(C(=O)N2CCCCCC2c2ccncc2)cc1OC.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide?
The InChIKey is UBYAVCCJNKCMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-34-24-10-6-5-8-22(24)30-27(32)19-36-25-12-11-21(18-26(25)35-2)28(33)31-17-7-3-4-9-23(31)20-13-15-29-16-14-20/h5-6,8,10-16,18,23H,3-4,7,9,17,19H2,1-2H3,(H,30,32).
What are the key properties of N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide has a molecular weight of 489.57 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 55764627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).