3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide

C10H22N2O2 — CID 115746120

IUPAC3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
SMILESCC(C)C(O)CNC(=O)CCN(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)9(13)7-11-10(14)5-6-12(3)4/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyOTNFLRYKLCGHTC-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.07
Rot. Bonds6

About 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide

3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide (PubChem CID 115746120) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
PubChem CID115746120
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
SMILESCC(C)C(O)CNC(=O)CCN(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)9(13)7-11-10(14)5-6-12(3)4/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyOTNFLRYKLCGHTC-UHFFFAOYSA-N
XLogP0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
CID 109478558
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
(2S)-2-amino-N'-[(2S)-2-amino-3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-[2-(dimethylamino)ethyl]pentanediamide;tetrahydrochloride
CID 171378157
N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136060
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 97078266
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide (CID 115746120) is 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide is CC(C)C(O)CNC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide?
The InChIKey is OTNFLRYKLCGHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)9(13)7-11-10(14)5-6-12(3)4/h8-9,13H,5-7H2,1-4H3,(H,11,14).
What are the key properties of 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide?
3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide has a molecular weight of 202.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide is sourced from PubChem (CID 115746120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).