N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide

C16H33N3O2 — CID 171106748

IUPACN-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide
SMILESCC(CNC(=O)C(CC(C)(C)C)C(C)(C)C)NC(=O)CN
InChIInChI=1S/C16H33N3O2/c1-11(19-13(20)9-17)10-18-14(21)12(16(5,6)7)8-15(2,3)4/h11-12H,8-10,17H2,1-7H3,(H,18,21)(H,19,20)
InChIKeyPJIVJFHTEWGCPQ-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.66
Rot. Bonds6

About N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide

N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide (PubChem CID 171106748) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide
PubChem CID171106748
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide
SMILESCC(CNC(=O)C(CC(C)(C)C)C(C)(C)C)NC(=O)CN
InChIInChI=1S/C16H33N3O2/c1-11(19-13(20)9-17)10-18-14(21)12(16(5,6)7)8-15(2,3)4/h11-12H,8-10,17H2,1-7H3,(H,18,21)(H,19,20)
InChIKeyPJIVJFHTEWGCPQ-UHFFFAOYSA-N
XLogP1.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide (CID 171106748) is N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide is CC(CNC(=O)C(CC(C)(C)C)C(C)(C)C)NC(=O)CN.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide?
The InChIKey is PJIVJFHTEWGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-11(19-13(20)9-17)10-18-14(21)12(16(5,6)7)8-15(2,3)4/h11-12H,8-10,17H2,1-7H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide?
N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide has a molecular weight of 299.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide is sourced from PubChem (CID 171106748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).