methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate

C17H28N2O2 — CID 61002861

IUPACmethyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate
SMILESCOC(=O)C(CC(C)C)(NCCN(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)13-17(16(20)21-5,18-11-12-19(3)4)15-9-7-6-8-10-15/h6-10,14,18H,11-13H2,1-5H3
InChIKeyOOCJLWACARRZEQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.25
Rot. Bonds8

About methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate

methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate (PubChem CID 61002861) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate
PubChem CID61002861
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namemethyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate
SMILESCOC(=O)C(CC(C)C)(NCCN(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)13-17(16(20)21-5,18-11-12-19(3)4)15-9-7-6-8-10-15/h6-10,14,18H,11-13H2,1-5H3
InChIKeyOOCJLWACARRZEQ-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289
methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate
CID 116693617
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid
CID 61002300
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
CID 103464935
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
methyl 3-methoxy-2-phenyl-2-(2,2,2-trifluoroethylamino)propanoate
CID 103464928
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272
methyl 2-(benzylamino)-2,3-diphenylpropanoate
CID 113225267
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate (CID 61002861) is methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate is COC(=O)C(CC(C)C)(NCCN(C)C)c1ccccc1.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate?
The InChIKey is OOCJLWACARRZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)13-17(16(20)21-5,18-11-12-19(3)4)15-9-7-6-8-10-15/h6-10,14,18H,11-13H2,1-5H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate?
methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate has a molecular weight of 292.42 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate is sourced from PubChem (CID 61002861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).