N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide

C11H20N4O2 — CID 79387824

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O2/c1-4-14(9-11(2,3)17)10(16)5-7-15-8-6-12-13-15/h6,8,17H,4-5,7,9H2,1-3H3
InChIKeyVMMPZHFAFRCOJH-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.29
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide (PubChem CID 79387824) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide
PubChem CID79387824
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O2/c1-4-14(9-11(2,3)17)10(16)5-7-15-8-6-12-13-15/h6,8,17H,4-5,7,9H2,1-3H3
InChIKeyVMMPZHFAFRCOJH-UHFFFAOYSA-N
XLogP0.29
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-3-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915489
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
CID 107483091
3-[Di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one
CID 151800489
N-butyl-N-ethyl-3-(triazol-1-yl)propanamide
CID 177170539
Tert-butyl 3-hydroxy-3-(triazol-1-ylmethyl)azetidine-1-carboxylate
CID 177932676
2-[Methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
CID 28789980
N,N-diethyl-3-(triazol-1-yl)propanamide
CID 39975228
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 43417104
N-(2-hydroxypropyl)-3-(triazol-1-yl)propanamide
CID 43419308
2-[4-[3-(Triazol-1-yl)propanoyl]piperazin-1-yl]acetic acid
CID 43521412
N-(2-hydroxyethyl)-N-propan-2-yl-3-(triazol-1-yl)propanamide
CID 43572994
N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
CID 43577017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide (CID 79387824) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide is CCN(CC(C)(C)O)C(=O)CCn1ccnn1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide?
The InChIKey is VMMPZHFAFRCOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-14(9-11(2,3)17)10(16)5-7-15-8-6-12-13-15/h6,8,17H,4-5,7,9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide has a molecular weight of 240.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 79387824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).