methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate

C19H30N2O4 — CID 145351258

IUPACmethyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(N(CC(C)C)CC(C)C)c(N=O)c1
InChIInChI=1S/C19H30N2O4/c1-13(2)11-21(12-14(3)4)17-9-8-15(10-16(17)20-23)25-19(5,6)18(22)24-7/h8-10,13-14H,11-12H2,1-7H3
InChIKeySOQSLHKULRFGQY-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.53
Rot. Bonds9

About methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate

methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate (PubChem CID 145351258) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate
PubChem CID145351258
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(N(CC(C)C)CC(C)C)c(N=O)c1
InChIInChI=1S/C19H30N2O4/c1-13(2)11-21(12-14(3)4)17-9-8-15(10-16(17)20-23)25-19(5,6)18(22)24-7/h8-10,13-14H,11-12H2,1-7H3
InChIKeySOQSLHKULRFGQY-UHFFFAOYSA-N
XLogP4.53
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[bis(2-methylpropyl)amino]-3-[(2,4-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoate
CID 130331254
2-[3-(1-aminoethylideneamino)-4-[bis(2-methylpropyl)amino]phenoxy]-2-methylpropanoic acid;2-methylbut-2-ene
CID 145351309
methyl 2-[4-[bis(2-methylpropyl)amino]-3-[[2-(2,4-difluorophenyl)acetyl]amino]phenoxy]-2-methylpropanoate
CID 160797418
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
methyl 2-[3-(bromomethyl)phenoxy]-2-methylpropanoate
CID 89252083
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
CID 142223299
methyl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594151
N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide
CID 156877683
methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate
CID 115174770
N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane
CID 156877682

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate (CID 145351258) is methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate is COC(=O)C(C)(C)Oc1ccc(N(CC(C)C)CC(C)C)c(N=O)c1.
What is the InChIKey of methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate?
The InChIKey is SOQSLHKULRFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13(2)11-21(12-14(3)4)17-9-8-15(10-16(17)20-23)25-19(5,6)18(22)24-7/h8-10,13-14H,11-12H2,1-7H3.
What are the key properties of methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate?
methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate has a molecular weight of 350.46 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[bis(2-methylpropyl)amino]-3-nitrosophenoxy]-2-methylpropanoate is sourced from PubChem (CID 145351258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).