N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide

C12H26N2O3 — CID 114010536

IUPACN,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(CC)(CO)CO
InChIInChI=1S/C12H26N2O3/c1-5-12(8-15,9-16)13-10(4)11(17)14(6-2)7-3/h10,13,15-16H,5-9H2,1-4H3
InChIKeyMVTZJLJMFWNKJW-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.03
Rot. Bonds8

About N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide

N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide (PubChem CID 114010536) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
PubChem CID114010536
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(CC)(CO)CO
InChIInChI=1S/C12H26N2O3/c1-5-12(8-15,9-16)13-10(4)11(17)14(6-2)7-3/h10,13,15-16H,5-9H2,1-4H3
InChIKeyMVTZJLJMFWNKJW-UHFFFAOYSA-N
XLogP-0.03
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
CID 81413077
tert-butyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107865292
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
CID 107865308
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
N,N-diethyl-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036216
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
CID 62856660
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
CID 115920289

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide (CID 114010536) is N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide is CCN(CC)C(=O)C(C)NC(CC)(CO)CO.
What is the InChIKey of N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide?
The InChIKey is MVTZJLJMFWNKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-12(8-15,9-16)13-10(4)11(17)14(6-2)7-3/h10,13,15-16H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide?
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide has a molecular weight of 246.35 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide is sourced from PubChem (CID 114010536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).