N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

C12H25N3O3 — CID 113246222

IUPACN-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-9(16)6-7-15(5)8-10(17)13-11(18)14-12(2,3)4/h9,16H,6-8H2,1-5H3,(H2,13,14,17,18)
InChIKeyQQNWNLRZBKTIFC-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.31
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 113246222) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID113246222
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-9(16)6-7-15(5)8-10(17)13-11(18)14-12(2,3)4/h9,16H,6-8H2,1-5H3,(H2,13,14,17,18)
InChIKeyQQNWNLRZBKTIFC-UHFFFAOYSA-N
XLogP0.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028162
ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111488551
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
CID 103071291
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 113246222) is N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is CC(O)CCN(C)CC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is QQNWNLRZBKTIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-9(16)6-7-15(5)8-10(17)13-11(18)14-12(2,3)4/h9,16H,6-8H2,1-5H3,(H2,13,14,17,18).
What are the key properties of N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 259.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 113246222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).