N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide

C11H24N2O3 — CID 106246865

IUPACN-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
SMILESCOCC(O)CCNCC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-11(2,3)13-10(15)7-12-6-5-9(14)8-16-4/h9,12,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyFSVPGHVCSIPTBW-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.11
Rot. Bonds7

About N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide

N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide (PubChem CID 106246865) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
PubChem CID106246865
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC NameN-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
SMILESCOCC(O)CCNCC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-11(2,3)13-10(15)7-12-6-5-9(14)8-16-4/h9,12,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyFSVPGHVCSIPTBW-UHFFFAOYSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
2-[[(3-hydroxy-4-methoxybutyl)amino]methyl]prop-2-enoic acid
CID 106248282
4-[(3-hydroxy-4-methoxybutyl)amino]-3-methylbut-2-enoic acid
CID 106248300
N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219120
2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
CID 106246683
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
CID 106246562
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246679
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide (CID 106246865) is N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide is COCC(O)CCNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide?
The InChIKey is FSVPGHVCSIPTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-11(2,3)13-10(15)7-12-6-5-9(14)8-16-4/h9,12,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide?
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide has a molecular weight of 232.32 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide is sourced from PubChem (CID 106246865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).