methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate

C18H25F2NO4 — CID 95776733

IUPACmethyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CNC(=O)c1cc(C)c(OC(F)F)c(C)c1)CC(C)C
InChIInChI=1S/C18H25F2NO4/c1-10(2)6-14(17(23)24-5)9-21-16(22)13-7-11(3)15(12(4)8-13)25-18(19)20/h7-8,10,14,18H,6,9H2,1-5H3,(H,21,22)/t14-/m1/s1
InChIKeyQWEYGWQSDSISFZ-CQSZACIVSA-N
MW357.40 g/mol
LogP3.47
Rot. Bonds8

About methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate

methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate (PubChem CID 95776733) has the molecular formula C18H25F2NO4 and a molecular weight of 357.40 g/mol. Its IUPAC name is methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate
PubChem CID95776733
Molecular FormulaC18H25F2NO4
Molecular Weight357.40 g/mol
Exact Mass357.18
IUPAC Namemethyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CNC(=O)c1cc(C)c(OC(F)F)c(C)c1)CC(C)C
InChIInChI=1S/C18H25F2NO4/c1-10(2)6-14(17(23)24-5)9-21-16(22)13-7-11(3)15(12(4)8-13)25-18(19)20/h7-8,10,14,18H,6,9H2,1-5H3,(H,21,22)/t14-/m1/s1
InChIKeyQWEYGWQSDSISFZ-CQSZACIVSA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate with MolForge

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Related Compounds

N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
CID 119499066
3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249228
2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 119253434
(2R)-2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]propanoic acid
CID 97234306
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
2-[2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241468
2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-4-methylpentanoic acid
CID 120510088
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide
CID 95616061
2-[4-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120699004
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate (CID 95776733) is methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate is COC(=O)[C@@H](CNC(=O)c1cc(C)c(OC(F)F)c(C)c1)CC(C)C.
What is the InChIKey of methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate?
The InChIKey is QWEYGWQSDSISFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25F2NO4/c1-10(2)6-14(17(23)24-5)9-21-16(22)13-7-11(3)15(12(4)8-13)25-18(19)20/h7-8,10,14,18H,6,9H2,1-5H3,(H,21,22)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate?
methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate has a molecular weight of 357.40 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate is sourced from PubChem (CID 95776733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).