3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide

C12H26N2O2 — CID 65106616

IUPAC3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-12(5,16)9-13-10(15)7-8-14-11(2,3)4/h14,16H,6-9H2,1-5H3,(H,13,15)
InChIKeyKWATXMAXYWNQNI-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.04
Rot. Bonds6

About 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide

3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide (PubChem CID 65106616) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
PubChem CID65106616
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-12(5,16)9-13-10(15)7-8-14-11(2,3)4/h14,16H,6-9H2,1-5H3,(H,13,15)
InChIKeyKWATXMAXYWNQNI-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-3-methylsulfanylpropanamide
CID 65114452
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
3-cyclopentyl-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114785
N-(2-hydroxy-2-methylbutyl)hept-6-ynamide
CID 103908911
3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
CID 65111192
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831
3-acetamido-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713019
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
CID 65106452
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
N-ethyl-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
CID 103993424
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide (CID 65106616) is 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide is CCC(C)(O)CNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide?
The InChIKey is KWATXMAXYWNQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-12(5,16)9-13-10(15)7-8-14-11(2,3)4/h14,16H,6-9H2,1-5H3,(H,13,15).
What are the key properties of 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide?
3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide has a molecular weight of 230.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 65106616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).