N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide

C16H26N2O2 — CID 81419811

IUPACN-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
SMILESCCC(CC)(CO)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-16(4-2,13-19)12-17-11-15(20)18-10-14-8-6-5-7-9-14/h5-9,17,19H,3-4,10-13H2,1-2H3,(H,18,20)
InChIKeyYTIZDQMDYKLPCF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.69
Rot. Bonds9

About N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide

N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide (PubChem CID 81419811) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
PubChem CID81419811
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
SMILESCCC(CC)(CO)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-16(4-2,13-19)12-17-11-15(20)18-10-14-8-6-5-7-9-14/h5-9,17,19H,3-4,10-13H2,1-2H3,(H,18,20)
InChIKeyYTIZDQMDYKLPCF-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106175936
N-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81413181
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277093
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N-benzyl-3-oxopentanamide
CID 10632061
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide (CID 81419811) is N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide is CCC(CC)(CO)CNCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
The InChIKey is YTIZDQMDYKLPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-16(4-2,13-19)12-17-11-15(20)18-10-14-8-6-5-7-9-14/h5-9,17,19H,3-4,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide is sourced from PubChem (CID 81419811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).