N-[2-(aminomethoxy)ethyl]-4-oxohexanamide

C9H18N2O3 — CID 163442733

IUPACN-[2-(aminomethoxy)ethyl]-4-oxohexanamide
SMILESCCC(=O)CCC(=O)NCCOCN
InChIInChI=1S/C9H18N2O3/c1-2-8(12)3-4-9(13)11-5-6-14-7-10/h2-7,10H2,1H3,(H,11,13)
InChIKeyAZXBECDLUGIERE-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds8

About N-[2-(aminomethoxy)ethyl]-4-oxohexanamide

N-[2-(aminomethoxy)ethyl]-4-oxohexanamide (PubChem CID 163442733) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[2-(aminomethoxy)ethyl]-4-oxohexanamide.

Molecular Properties

Compound NameN-[2-(aminomethoxy)ethyl]-4-oxohexanamide
PubChem CID163442733
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[2-(aminomethoxy)ethyl]-4-oxohexanamide
SMILESCCC(=O)CCC(=O)NCCOCN
InChIInChI=1S/C9H18N2O3/c1-2-8(12)3-4-9(13)11-5-6-14-7-10/h2-7,10H2,1H3,(H,11,13)
InChIKeyAZXBECDLUGIERE-UHFFFAOYSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
CID 167491249
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548
[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
CID 157417113
N-hexadecyl-4-oxohexanamide
CID 59141452
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
N-(3-aminopropyl)-5-oxoheptanamide
CID 91122270
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethoxy)ethyl]-4-oxohexanamide?
The IUPAC name of N-[2-(aminomethoxy)ethyl]-4-oxohexanamide (CID 163442733) is N-[2-(aminomethoxy)ethyl]-4-oxohexanamide.
What is the SMILES notation for N-[2-(aminomethoxy)ethyl]-4-oxohexanamide?
The canonical SMILES for N-[2-(aminomethoxy)ethyl]-4-oxohexanamide is CCC(=O)CCC(=O)NCCOCN.
What is the InChIKey of N-[2-(aminomethoxy)ethyl]-4-oxohexanamide?
The InChIKey is AZXBECDLUGIERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-8(12)3-4-9(13)11-5-6-14-7-10/h2-7,10H2,1H3,(H,11,13).
What are the key properties of N-[2-(aminomethoxy)ethyl]-4-oxohexanamide?
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide has a molecular weight of 202.25 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethoxy)ethyl]-4-oxohexanamide is sourced from PubChem (CID 163442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).