N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide

C10H21N3O3 — CID 110415978

IUPACN-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
SMILESCOCCNC(=O)NCCCCNC(C)=O
InChIInChI=1S/C10H21N3O3/c1-9(14)11-5-3-4-6-12-10(15)13-7-8-16-2/h3-8H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKeySOTXANQIVVVRAI-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.15
Rot. Bonds8

About N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide

N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide (PubChem CID 110415978) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
PubChem CID110415978
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
SMILESCOCCNC(=O)NCCCCNC(C)=O
InChIInChI=1S/C10H21N3O3/c1-9(14)11-5-3-4-6-12-10(15)13-7-8-16-2/h3-8H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKeySOTXANQIVVVRAI-UHFFFAOYSA-N
XLogP-0.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(3-methoxypropoxy)butyl]acetamide
CID 134356384
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
methane;propane;N-[4-(2-propoxyethylcarbamoylamino)butyl]acetamide;1-propoxypropane
CID 142400891
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
N-(3-acetamidopropyl)acetamide
CID 5147555
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
N-[2-[2-(5-acetamidopentoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155056819

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide?
The IUPAC name of N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide (CID 110415978) is N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide.
What is the SMILES notation for N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide?
The canonical SMILES for N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide is COCCNC(=O)NCCCCNC(C)=O.
What is the InChIKey of N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide?
The InChIKey is SOTXANQIVVVRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-9(14)11-5-3-4-6-12-10(15)13-7-8-16-2/h3-8H2,1-2H3,(H,11,14)(H2,12,13,15).
What are the key properties of N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide?
N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide has a molecular weight of 231.30 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide is sourced from PubChem (CID 110415978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).