5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide

C10H20BrN3O2 — CID 107910490

IUPAC5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
SMILESCN(C)C(=O)NCCNC(=O)CCCCBr
InChIInChI=1S/C10H20BrN3O2/c1-14(2)10(16)13-8-7-12-9(15)5-3-4-6-11/h3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeySKDVRUOOULOFHK-UHFFFAOYSA-N
MW294.19 g/mol
LogP0.94
Rot. Bonds7

About 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide

5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide (PubChem CID 107910490) has the molecular formula C10H20BrN3O2 and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
PubChem CID107910490
Molecular FormulaC10H20BrN3O2
Molecular Weight294.19 g/mol
Exact Mass293.07
IUPAC Name5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
SMILESCN(C)C(=O)NCCNC(=O)CCCCBr
InChIInChI=1S/C10H20BrN3O2/c1-14(2)10(16)13-8-7-12-9(15)5-3-4-6-11/h3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeySKDVRUOOULOFHK-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 107907997
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
5-bromo-N-(2-butoxyethyl)pentanamide
CID 10016485
5-bromo-N-(3-methylsulfanylbutyl)pentanamide
CID 107910619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide (CID 107910490) is 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide is CN(C)C(=O)NCCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide?
The InChIKey is SKDVRUOOULOFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN3O2/c1-14(2)10(16)13-8-7-12-9(15)5-3-4-6-11/h3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide?
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide has a molecular weight of 294.19 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide is sourced from PubChem (CID 107910490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).