N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide

C20H28F2N2O4 — CID 119048426

IUPACN-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
SMILESO=C(CNC(=O)c1ccccc1OC(F)F)NCC(CO)CC1CCCCC1
InChIInChI=1S/C20H28F2N2O4/c21-20(22)28-17-9-5-4-8-16(17)19(27)24-12-18(26)23-11-15(13-25)10-14-6-2-1-3-7-14/h4-5,8-9,14-15,20,25H,1-3,6-7,10-13H2,(H,23,26)(H,24,27)
InChIKeyQLZIXOPFNBUUOL-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.71
Rot. Bonds10

About N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide

N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide (PubChem CID 119048426) has the molecular formula C20H28F2N2O4 and a molecular weight of 398.45 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
PubChem CID119048426
Molecular FormulaC20H28F2N2O4
Molecular Weight398.45 g/mol
Exact Mass398.20
IUPAC NameN-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
SMILESO=C(CNC(=O)c1ccccc1OC(F)F)NCC(CO)CC1CCCCC1
InChIInChI=1S/C20H28F2N2O4/c21-20(22)28-17-9-5-4-8-16(17)19(27)24-12-18(26)23-11-15(13-25)10-14-6-2-1-3-7-14/h4-5,8-9,14-15,20,25H,1-3,6-7,10-13H2,(H,23,26)(H,24,27)
InChIKeyQLZIXOPFNBUUOL-UHFFFAOYSA-N
XLogP2.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709
2-(difluoromethoxy)-N-ethylbenzamide
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CID 7964326
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452
2-(difluoromethoxy)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280038
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide
CID 63258197
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide (CID 119048426) is N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide is O=C(CNC(=O)c1ccccc1OC(F)F)NCC(CO)CC1CCCCC1.
What is the InChIKey of N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
The InChIKey is QLZIXOPFNBUUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O4/c21-20(22)28-17-9-5-4-8-16(17)19(27)24-12-18(26)23-11-15(13-25)10-14-6-2-1-3-7-14/h4-5,8-9,14-15,20,25H,1-3,6-7,10-13H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide?
N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide has a molecular weight of 398.45 g/mol, XLogP of 2.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylmethyl)-3-hydroxypropyl]amino]-2-oxoethyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 119048426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).