N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide

C13H28N2O2 — CID 81413077

IUPACN,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC(C)(CC)CO
InChIInChI=1S/C13H28N2O2/c1-6-13(5,10-16)9-14-11(4)12(17)15(7-2)8-3/h11,14,16H,6-10H2,1-5H3
InChIKeyNLTHZWUYPSCQJN-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds8

About N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide

N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide (PubChem CID 81413077) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
PubChem CID81413077
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC(C)(CC)CO
InChIInChI=1S/C13H28N2O2/c1-6-13(5,10-16)9-14-11(4)12(17)15(7-2)8-3/h11,14,16H,6-10H2,1-5H3
InChIKeyNLTHZWUYPSCQJN-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol
CID 115895182
N,N-diethyl-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036216
4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473350
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
2-[(but-3-yn-2-ylamino)methyl]-2-methylbutan-1-ol
CID 114415059
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide
CID 66187164
N,N-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
2-amino-3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]propanamide
CID 103262824

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide (CID 81413077) is N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide is CCN(CC)C(=O)C(C)NCC(C)(CC)CO.
What is the InChIKey of N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide?
The InChIKey is NLTHZWUYPSCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-13(5,10-16)9-14-11(4)12(17)15(7-2)8-3/h11,14,16H,6-10H2,1-5H3.
What are the key properties of N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide?
N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide is sourced from PubChem (CID 81413077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).