3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide

C14H30N2O2 — CID 65269598

IUPAC3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CCO)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H30N2O2/c1-7-11(8-2)16(9-10-17)12(18)13(3,4)14(5,6)15/h11,17H,7-10,15H2,1-6H3
InChIKeyFTINQEDCBDWTOG-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.76
Rot. Bonds7

About 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide

3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide (PubChem CID 65269598) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide
PubChem CID65269598
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CCO)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H30N2O2/c1-7-11(8-2)16(9-10-17)12(18)13(3,4)14(5,6)15/h11,17H,7-10,15H2,1-6H3
InChIKeyFTINQEDCBDWTOG-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 113270576
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662
N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide
CID 63754749
(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide
CID 54998676
(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
CID 54999112
4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 65269921
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 54998159
N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide
CID 54994470
(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 103930183
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63064052
N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569767

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide (CID 65269598) is 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide is CCC(CC)N(CCO)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide?
The InChIKey is FTINQEDCBDWTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-11(8-2)16(9-10-17)12(18)13(3,4)14(5,6)15/h11,17H,7-10,15H2,1-6H3.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide?
3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide has a molecular weight of 258.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide is sourced from PubChem (CID 65269598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).