N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide

C14H29N3O — CID 113293184

IUPACN-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
SMILESCCN1CCCC(NCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-17-9-6-7-12(8-10-17)15-11-13(18)16-14(2,3)4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyKLSWUDCUBFUTIL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds4

About N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide

N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide (PubChem CID 113293184) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
PubChem CID113293184
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
SMILESCCN1CCCC(NCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-17-9-6-7-12(8-10-17)15-11-13(18)16-14(2,3)4/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyKLSWUDCUBFUTIL-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide (CID 113293184) is N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide is CCN1CCCC(NCC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
The InChIKey is KLSWUDCUBFUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-17-9-6-7-12(8-10-17)15-11-13(18)16-14(2,3)4/h12,15H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide is sourced from PubChem (CID 113293184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).