N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide

C18H24F2N2O4 — CID 55611938

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCCCCC2=O)cc1OC(F)F
InChIInChI=1S/C18H24F2N2O4/c1-21(17(24)12-22-9-5-3-4-6-16(22)23)11-13-7-8-14(25-2)15(10-13)26-18(19)20/h7-8,10,18H,3-6,9,11-12H2,1-2H3
InChIKeyRCDNDHATTVXCAE-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.66
Rot. Bonds7

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 55611938) has the molecular formula C18H24F2N2O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
PubChem CID55611938
Molecular FormulaC18H24F2N2O4
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCCCCC2=O)cc1OC(F)F
InChIInChI=1S/C18H24F2N2O4/c1-21(17(24)12-22-9-5-3-4-6-16(22)23)11-13-7-8-14(25-2)15(10-13)26-18(19)20/h7-8,10,18H,3-6,9,11-12H2,1-2H3
InChIKeyRCDNDHATTVXCAE-UHFFFAOYSA-N
XLogP2.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
CID 17495525
(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621587
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55625221
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 9317785
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
CID 43042432
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56550038
1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 112819653
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 55413062
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
1-(cyclopentylmethyl)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 86869175

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide (CID 55611938) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide is COc1ccc(CN(C)C(=O)CN2CCCCCC2=O)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is RCDNDHATTVXCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O4/c1-21(17(24)12-22-9-5-3-4-6-16(22)23)11-13-7-8-14(25-2)15(10-13)26-18(19)20/h7-8,10,18H,3-6,9,11-12H2,1-2H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 370.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 55611938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).