4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide

C11H18N2O2 — CID 49396489

IUPAC4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
SMILESC#CCNC(=O)CNC(=O)CCC(C)C
InChIInChI=1S/C11H18N2O2/c1-4-7-12-11(15)8-13-10(14)6-5-9(2)3/h1,9H,5-8H2,2-3H3,(H,12,15)(H,13,14)
InChIKeyNRAUKZZOCXLLSP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.29
Rot. Bonds6

About 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide

4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide (PubChem CID 49396489) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
PubChem CID49396489
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
SMILESC#CCNC(=O)CNC(=O)CCC(C)C
InChIInChI=1S/C11H18N2O2/c1-4-7-12-11(15)8-13-10(14)6-5-9(2)3/h1,9H,5-8H2,2-3H3,(H,12,15)(H,13,14)
InChIKeyNRAUKZZOCXLLSP-UHFFFAOYSA-N
XLogP0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
4-oxo-N-prop-2-ynylpentanamide
CID 60646238
3-(4-bromophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 75512525
2-[[2-(prop-2-ynylcarbamoylamino)acetyl]amino]acetic acid
CID 61192699
N,N'-bis(prop-2-ynyl)octadec-9-enediamide
CID 90949780
3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide;prop-1-yne
CID 144673873
3-(2-bromophenyl)sulfanyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 49394136
6-oxo-6-(prop-2-ynylamino)hexanoic acid
CID 43529221
4-amino-N-prop-2-ynylbutanamide
CID 24695167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide (CID 49396489) is 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide is C#CCNC(=O)CNC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide?
The InChIKey is NRAUKZZOCXLLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-7-12-11(15)8-13-10(14)6-5-9(2)3/h1,9H,5-8H2,2-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide?
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide has a molecular weight of 210.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide is sourced from PubChem (CID 49396489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).