methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate

C16H24N2O3 — CID 82347407

IUPACmethyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate
SMILESCOC(=O)CCC(NCCN(C)C)C(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-18(2)12-11-17-14(9-10-15(19)21-3)16(20)13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeyULSVSSNNOHGVEN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.34
Rot. Bonds9

About methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate

methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate (PubChem CID 82347407) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate
PubChem CID82347407
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate
SMILESCOC(=O)CCC(NCCN(C)C)C(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-18(2)12-11-17-14(9-10-15(19)21-3)16(20)13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeyULSVSSNNOHGVEN-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(butylamino)-5-oxo-5-phenylpentanoate
CID 82347398
methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate
CID 82347400
methyl 3-[2-(dimethylamino)ethylamino]-4-(4-methylphenyl)-4-oxobutanoate
CID 82347484
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate
CID 82348695
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
dimethyl 2-(phenoxymethylamino)pentanedioate
CID 70841447
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate
CID 60977381
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
CID 7317030

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate?
The IUPAC name of methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate (CID 82347407) is methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate.
What is the SMILES notation for methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate?
The canonical SMILES for methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate is COC(=O)CCC(NCCN(C)C)C(=O)c1ccccc1.
What is the InChIKey of methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate?
The InChIKey is ULSVSSNNOHGVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(2)12-11-17-14(9-10-15(19)21-3)16(20)13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3.
What are the key properties of methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate?
methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate is sourced from PubChem (CID 82347407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).