N-butyl-6-(carbamoylamino)hexanamide

C11H23N3O2 — CID 2308939

IUPACN-butyl-6-(carbamoylamino)hexanamide
SMILESCCCCNC(=O)CCCCCNC(N)=O
InChIInChI=1S/C11H23N3O2/c1-2-3-8-13-10(15)7-5-4-6-9-14-11(12)16/h2-9H2,1H3,(H,13,15)(H3,12,14,16)
InChIKeyXZSIULLYEGIZBW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.13
Rot. Bonds9

About N-butyl-6-(carbamoylamino)hexanamide

N-butyl-6-(carbamoylamino)hexanamide (PubChem CID 2308939) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-butyl-6-(carbamoylamino)hexanamide.

Molecular Properties

Compound NameN-butyl-6-(carbamoylamino)hexanamide
PubChem CID2308939
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-butyl-6-(carbamoylamino)hexanamide
SMILESCCCCNC(=O)CCCCCNC(N)=O
InChIInChI=1S/C11H23N3O2/c1-2-3-8-13-10(15)7-5-4-6-9-14-11(12)16/h2-9H2,1H3,(H,13,15)(H3,12,14,16)
InChIKeyXZSIULLYEGIZBW-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(carbamoylamino)hexanamide?
The IUPAC name of N-butyl-6-(carbamoylamino)hexanamide (CID 2308939) is N-butyl-6-(carbamoylamino)hexanamide.
What is the SMILES notation for N-butyl-6-(carbamoylamino)hexanamide?
The canonical SMILES for N-butyl-6-(carbamoylamino)hexanamide is CCCCNC(=O)CCCCCNC(N)=O.
What is the InChIKey of N-butyl-6-(carbamoylamino)hexanamide?
The InChIKey is XZSIULLYEGIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-3-8-13-10(15)7-5-4-6-9-14-11(12)16/h2-9H2,1H3,(H,13,15)(H3,12,14,16).
What are the key properties of N-butyl-6-(carbamoylamino)hexanamide?
N-butyl-6-(carbamoylamino)hexanamide has a molecular weight of 229.32 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(carbamoylamino)hexanamide is sourced from PubChem (CID 2308939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).