N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide

C13H25N3O2 — CID 148540865

IUPACN-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)NCCCCC(=O)NCCCCN
InChIInChI=1S/C13H25N3O2/c1-11(2)13(18)16-10-5-3-7-12(17)15-9-6-4-8-14/h1,3-10,14H2,2H3,(H,15,17)(H,16,18)
InChIKeyMSDFFQLZWMOFAZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.70
Rot. Bonds10

About N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide

N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide (PubChem CID 148540865) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide
PubChem CID148540865
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)NCCCCC(=O)NCCCCN
InChIInChI=1S/C13H25N3O2/c1-11(2)13(18)16-10-5-3-7-12(17)15-9-6-4-8-14/h1,3-10,14H2,2H3,(H,15,17)(H,16,18)
InChIKeyMSDFFQLZWMOFAZ-UHFFFAOYSA-N
XLogP0.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide?
The IUPAC name of N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide (CID 148540865) is N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide.
What is the SMILES notation for N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide?
The canonical SMILES for N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide is C=C(C)C(=O)NCCCCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide?
The InChIKey is MSDFFQLZWMOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)13(18)16-10-5-3-7-12(17)15-9-6-4-8-14/h1,3-10,14H2,2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide?
N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide has a molecular weight of 255.36 g/mol, XLogP of 0.70, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide is sourced from PubChem (CID 148540865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).