methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate

C16H24N2O3 — CID 162651561

IUPACmethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)12-7-6-8-13(11(3)4)15(12)18-16(20)17-9-14(19)21-5/h6-8,10-11H,9H2,1-5H3,(H2,17,18,20)
InChIKeyWTBWBAOTHAAHIP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.23
Rot. Bonds5

About methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate

methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate (PubChem CID 162651561) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
PubChem CID162651561
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)12-7-6-8-13(11(3)4)15(12)18-16(20)17-9-14(19)21-5/h6-8,10-11H,9H2,1-5H3,(H2,17,18,20)
InChIKeyWTBWBAOTHAAHIP-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 21348423
1-[(2S)-2-amino-2-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67941886
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
CID 3697295
2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate?
The IUPAC name of methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate (CID 162651561) is methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate?
The canonical SMILES for methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate is COC(=O)CNC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate?
The InChIKey is WTBWBAOTHAAHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)12-7-6-8-13(11(3)4)15(12)18-16(20)17-9-14(19)21-5/h6-8,10-11H,9H2,1-5H3,(H2,17,18,20).
What are the key properties of methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate?
methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate has a molecular weight of 292.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate is sourced from PubChem (CID 162651561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).