2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide

C19H28F2N2O3 — CID 8558997

IUPAC2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)CNC2CCCCCCC2)ccc1OC(F)F
InChIInChI=1S/C19H28F2N2O3/c1-25-17-11-14(9-10-16(17)26-19(20)21)12-23-18(24)13-22-15-7-5-3-2-4-6-8-15/h9-11,15,19,22H,2-8,12-13H2,1H3,(H,23,24)
InChIKeyDWQCNEJTSADHNW-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.62
Rot. Bonds8

About 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide

2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide (PubChem CID 8558997) has the molecular formula C19H28F2N2O3 and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
PubChem CID8558997
Molecular FormulaC19H28F2N2O3
Molecular Weight370.44 g/mol
Exact Mass370.21
IUPAC Name2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)CNC2CCCCCCC2)ccc1OC(F)F
InChIInChI=1S/C19H28F2N2O3/c1-25-17-11-14(9-10-16(17)26-19(20)21)12-23-18(24)13-22-15-7-5-3-2-4-6-8-15/h9-11,15,19,22H,2-8,12-13H2,1H3,(H,23,24)
InChIKeyDWQCNEJTSADHNW-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8559125
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 55656409
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The IUPAC name of 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide (CID 8558997) is 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide is COc1cc(CNC(=O)CNC2CCCCCCC2)ccc1OC(F)F.
What is the InChIKey of 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
The InChIKey is DWQCNEJTSADHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O3/c1-25-17-11-14(9-10-16(17)26-19(20)21)12-23-18(24)13-22-15-7-5-3-2-4-6-8-15/h9-11,15,19,22H,2-8,12-13H2,1H3,(H,23,24).
What are the key properties of 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide?
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide has a molecular weight of 370.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 8558997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).