N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide

C13H26N2O3 — CID 106297632

IUPACN-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
SMILESCC(NC1(CO)CCOCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-10(11(17)15-12(2,3)4)14-13(9-16)5-7-18-8-6-13/h10,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyPNZREPNJNOZXFB-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.42
Rot. Bonds4

About N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide

N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide (PubChem CID 106297632) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
PubChem CID106297632
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
SMILESCC(NC1(CO)CCOCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-10(11(17)15-12(2,3)4)14-13(9-16)5-7-18-8-6-13/h10,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyPNZREPNJNOZXFB-UHFFFAOYSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide (CID 106297632) is N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide is CC(NC1(CO)CCOCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The InChIKey is PNZREPNJNOZXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(11(17)15-12(2,3)4)14-13(9-16)5-7-18-8-6-13/h10,14,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide is sourced from PubChem (CID 106297632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).