N-methoxy-N-(5-oxopentyl)acetamide

C8H15NO3 — CID 169199563

IUPACN-methoxy-N-(5-oxopentyl)acetamide
SMILESCON(CCCCC=O)C(C)=O
InChIInChI=1S/C8H15NO3/c1-8(11)9(12-2)6-4-3-5-7-10/h7H,3-6H2,1-2H3
InChIKeyJOTGUERUIWKQNB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.77
Rot. Bonds6

About N-methoxy-N-(5-oxopentyl)acetamide

N-methoxy-N-(5-oxopentyl)acetamide (PubChem CID 169199563) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-methoxy-N-(5-oxopentyl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-(5-oxopentyl)acetamide
PubChem CID169199563
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-methoxy-N-(5-oxopentyl)acetamide
SMILESCON(CCCCC=O)C(C)=O
InChIInChI=1S/C8H15NO3/c1-8(11)9(12-2)6-4-3-5-7-10/h7H,3-6H2,1-2H3
InChIKeyJOTGUERUIWKQNB-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-N-(4-oxobutyl)acetamide
CID 143387897
2-[methyl(20-oxoicosyl)amino]acetic acid
CID 91508030
N-benzyl-N-(5-oxopentyl)acetamide
CID 11586698
methyl 10-oxodecanoate
CID 519005
methyl 13-oxotridecanoate
CID 10331995
N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 139377372
methyl N-(5-oxopentyl)-N-phenylcarbamate
CID 174518980
ethane;N-methyl-N-(3-oxopropyl)acetamide
CID 143162499
N-methyl-N-(6-oxohexyl)formamide
CID 145135012
6-[methyl(phosphanyl)amino]hexanal
CID 146297565
acetamide;hexanal
CID 157359480
N-[5-[acetyl(methoxy)amino]pentyl]-N'-[5-[[4-[5-(2,2-dimethylpropylamino)pentyl-methoxyamino]-4-oxobutanoyl]amino]pentyl]-N'-methoxybutanediamide
CID 170397330

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-(5-oxopentyl)acetamide?
The IUPAC name of N-methoxy-N-(5-oxopentyl)acetamide (CID 169199563) is N-methoxy-N-(5-oxopentyl)acetamide.
What is the SMILES notation for N-methoxy-N-(5-oxopentyl)acetamide?
The canonical SMILES for N-methoxy-N-(5-oxopentyl)acetamide is CON(CCCCC=O)C(C)=O.
What is the InChIKey of N-methoxy-N-(5-oxopentyl)acetamide?
The InChIKey is JOTGUERUIWKQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(11)9(12-2)6-4-3-5-7-10/h7H,3-6H2,1-2H3.
What are the key properties of N-methoxy-N-(5-oxopentyl)acetamide?
N-methoxy-N-(5-oxopentyl)acetamide has a molecular weight of 173.21 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-(5-oxopentyl)acetamide is sourced from PubChem (CID 169199563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).