N-tert-butyl-3-(2-hydroxyethylamino)propanamide

C9H20N2O2 — CID 112688508

IUPACN-tert-butyl-3-(2-hydroxyethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCCO
InChIInChI=1S/C9H20N2O2/c1-9(2,3)11-8(13)4-5-10-6-7-12/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyUROPFWWZQLWPED-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds5

About N-tert-butyl-3-(2-hydroxyethylamino)propanamide

N-tert-butyl-3-(2-hydroxyethylamino)propanamide (PubChem CID 112688508) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-tert-butyl-3-(2-hydroxyethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-hydroxyethylamino)propanamide
PubChem CID112688508
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-tert-butyl-3-(2-hydroxyethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCCO
InChIInChI=1S/C9H20N2O2/c1-9(2,3)11-8(13)4-5-10-6-7-12/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyUROPFWWZQLWPED-UHFFFAOYSA-N
XLogP-0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-(2-hydroxyethylamino)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

5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 115605400
N-tert-butyl-4-hydroxybutanamide
CID 11829724
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
N-tert-butyl-3-(4-methoxybutylamino)propanamide
CID 115605378
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
N,N'-ditert-butylhexanediamide
CID 3593481
N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-hydroxyethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(2-hydroxyethylamino)propanamide (CID 112688508) is N-tert-butyl-3-(2-hydroxyethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-hydroxyethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-hydroxyethylamino)propanamide is CC(C)(C)NC(=O)CCNCCO.
What is the InChIKey of N-tert-butyl-3-(2-hydroxyethylamino)propanamide?
The InChIKey is UROPFWWZQLWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3)11-8(13)4-5-10-6-7-12/h10,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-3-(2-hydroxyethylamino)propanamide?
N-tert-butyl-3-(2-hydroxyethylamino)propanamide has a molecular weight of 188.27 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-hydroxyethylamino)propanamide is sourced from PubChem (CID 112688508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).