N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide

C13H28N4O2 — CID 119599057

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCCCNC(N)=O
InChIInChI=1S/C13H28N4O2/c1-10(2)8-13(3,9-14)17-11(18)6-4-5-7-16-12(15)19/h10H,4-9,14H2,1-3H3,(H,17,18)(H3,15,16,19)
InChIKeyXARYPXFJALHEHD-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.70
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide (PubChem CID 119599057) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
PubChem CID119599057
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCCCNC(N)=O
InChIInChI=1S/C13H28N4O2/c1-10(2)8-13(3,9-14)17-11(18)6-4-5-7-16-12(15)19/h10H,4-9,14H2,1-3H3,(H,17,18)(H3,15,16,19)
InChIKeyXARYPXFJALHEHD-UHFFFAOYSA-N
XLogP0.70
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide (CID 119599057) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide is CC(C)CC(C)(CN)NC(=O)CCCCNC(N)=O.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide?
The InChIKey is XARYPXFJALHEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-10(2)8-13(3,9-14)17-11(18)6-4-5-7-16-12(15)19/h10H,4-9,14H2,1-3H3,(H,17,18)(H3,15,16,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide has a molecular weight of 272.39 g/mol, XLogP of 0.70, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide is sourced from PubChem (CID 119599057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).