methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate

C14H20N2O3 — CID 115187986

IUPACmethyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
SMILESCCC(C(=O)OC)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C14H20N2O3/c1-4-12(14(18)19-3)13(17)16(2)10-8-11-7-5-6-9-15-11/h5-7,9,12H,4,8,10H2,1-3H3
InChIKeyNNLPXSZEVXHMHC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds6

About methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate

methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate (PubChem CID 115187986) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
PubChem CID115187986
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
SMILESCCC(C(=O)OC)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C14H20N2O3/c1-4-12(14(18)19-3)13(17)16(2)10-8-11-7-5-6-9-15-11/h5-7,9,12H,4,8,10H2,1-3H3
InChIKeyNNLPXSZEVXHMHC-UHFFFAOYSA-N
XLogP1.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
CID 63027374
2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172547
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
CID 71973637
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate?
The IUPAC name of methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate (CID 115187986) is methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate.
What is the SMILES notation for methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate?
The canonical SMILES for methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate is CCC(C(=O)OC)C(=O)N(C)CCc1ccccn1.
What is the InChIKey of methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate?
The InChIKey is NNLPXSZEVXHMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-12(14(18)19-3)13(17)16(2)10-8-11-7-5-6-9-15-11/h5-7,9,12H,4,8,10H2,1-3H3.
What are the key properties of methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate?
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate has a molecular weight of 264.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate is sourced from PubChem (CID 115187986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).