methyl 2-[methyl(3-phenylpropyl)amino]acetate

C13H19NO2 — CID 60697820

IUPACmethyl 2-[methyl(3-phenylpropyl)amino]acetate
SMILESCOC(=O)CN(C)CCCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-14(11-13(15)16-2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyWEVAIKYKMKQJOK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-[methyl(3-phenylpropyl)amino]acetate

methyl 2-[methyl(3-phenylpropyl)amino]acetate (PubChem CID 60697820) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-[methyl(3-phenylpropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(3-phenylpropyl)amino]acetate
PubChem CID60697820
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-[methyl(3-phenylpropyl)amino]acetate
SMILESCOC(=O)CN(C)CCCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-14(11-13(15)16-2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyWEVAIKYKMKQJOK-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115233197
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methyl 3-oxo-6-phenylhexanoate
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2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
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3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
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methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
CID 55850982
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
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CID 78787240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3-phenylpropyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(3-phenylpropyl)amino]acetate (CID 60697820) is methyl 2-[methyl(3-phenylpropyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(3-phenylpropyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(3-phenylpropyl)amino]acetate is COC(=O)CN(C)CCCc1ccccc1.
What is the InChIKey of methyl 2-[methyl(3-phenylpropyl)amino]acetate?
The InChIKey is WEVAIKYKMKQJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(11-13(15)16-2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of methyl 2-[methyl(3-phenylpropyl)amino]acetate?
methyl 2-[methyl(3-phenylpropyl)amino]acetate has a molecular weight of 221.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(3-phenylpropyl)amino]acetate is sourced from PubChem (CID 60697820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).