N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide

C13H26N2O2 — CID 54905939

IUPACN-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
SMILESCC(NCC1CCCOC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(12(16)15-13(2,3)4)14-8-11-6-5-7-17-9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyDROIAMUXBRKXHB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds4

About N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide

N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide (PubChem CID 54905939) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
PubChem CID54905939
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
SMILESCC(NCC1CCCOC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(12(16)15-13(2,3)4)14-8-11-6-5-7-17-9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyDROIAMUXBRKXHB-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 55210335
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
N-tert-butyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 114147359
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115581038
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
N-tert-butyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
CID 54914501
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103262784

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide (CID 54905939) is N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide is CC(NCC1CCCOC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide?
The InChIKey is DROIAMUXBRKXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(12(16)15-13(2,3)4)14-8-11-6-5-7-17-9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide?
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 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-(oxan-3-ylmethylamino)propanamide is sourced from PubChem (CID 54905939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).