3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide

C14H30N2O2 — CID 114145527

IUPAC3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-5-6-12(8-10-17)11-15-13(18)7-9-16-14(2,3)4/h12,16-17H,5-11H2,1-4H3,(H,15,18)
InChIKeyRYWQLSNAMKJAQE-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.68
Rot. Bonds9

About 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide

3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide (PubChem CID 114145527) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
PubChem CID114145527
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-5-6-12(8-10-17)11-15-13(18)7-9-16-14(2,3)4/h12,16-17H,5-11H2,1-4H3,(H,15,18)
InChIKeyRYWQLSNAMKJAQE-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
3-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 113248441
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
N-[3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropyl]furan-3-carboxamide
CID 103725537

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide (CID 114145527) is 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide is CCCC(CCO)CNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The InChIKey is RYWQLSNAMKJAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-6-12(8-10-17)11-15-13(18)7-9-16-14(2,3)4/h12,16-17H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide has a molecular weight of 258.41 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide is sourced from PubChem (CID 114145527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).