N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide

C10H22N2O2 — CID 66091624

IUPACN-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
SMILESCCNC(=O)CCNCC(C)CCO
InChIInChI=1S/C10H22N2O2/c1-3-12-10(14)4-6-11-8-9(2)5-7-13/h9,11,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyOCKIMGTWHCDUHU-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.12
Rot. Bonds8

About N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide

N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide (PubChem CID 66091624) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
PubChem CID66091624
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
SMILESCCNC(=O)CCNCC(C)CCO
InChIInChI=1S/C10H22N2O2/c1-3-12-10(14)4-6-11-8-9(2)5-7-13/h9,11,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyOCKIMGTWHCDUHU-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
2-[(4-hydroxy-2-methylbutyl)amino]-N-propylacetamide
CID 66092546
3-(2-methylpentylamino)-N-propan-2-ylpropanamide
CID 115904706
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
N-(4-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 66107104
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide (CID 66091624) is N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide is CCNC(=O)CCNCC(C)CCO.
What is the InChIKey of N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide?
The InChIKey is OCKIMGTWHCDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-12-10(14)4-6-11-8-9(2)5-7-13/h9,11,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide?
N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide has a molecular weight of 202.30 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide is sourced from PubChem (CID 66091624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).