methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate

C18H27NO3 — CID 78884649

IUPACmethyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H27NO3/c1-13(2)10-15-6-8-16(9-7-15)11-17(20)19(14(3)4)12-18(21)22-5/h6-9,13-14H,10-12H2,1-5H3
InChIKeyQRDGIGGXMCDGLB-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.84
Rot. Bonds7

About methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate

methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate (PubChem CID 78884649) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
PubChem CID78884649
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namemethyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H27NO3/c1-13(2)10-15-6-8-16(9-7-15)11-17(20)19(14(3)4)12-18(21)22-5/h6-9,13-14H,10-12H2,1-5H3
InChIKeyQRDGIGGXMCDGLB-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
CID 78878003
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 60766581
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
methyl 3-amino-4-[4-(2-methylpropyl)phenyl]butanoate
CID 82351578
2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580930
methyl 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetate
CID 23540454

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate (CID 78884649) is methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)Cc1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate?
The InChIKey is QRDGIGGXMCDGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)10-15-6-8-16(9-7-15)11-17(20)19(14(3)4)12-18(21)22-5/h6-9,13-14H,10-12H2,1-5H3.
What are the key properties of methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate has a molecular weight of 305.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78884649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).