3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C13H28N2O2 — CID 54916197

IUPAC3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)15(9-6-10-16)12(17)7-8-14-13(3,4)5/h11,14,16H,6-10H2,1-5H3
InChIKeyZWMXHASACBQYHC-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.38
Rot. Bonds7

About 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 54916197) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID54916197
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)15(9-6-10-16)12(17)7-8-14-13(3,4)5/h11,14,16H,6-10H2,1-5H3
InChIKeyZWMXHASACBQYHC-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 54916197) is 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is ZWMXHASACBQYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)15(9-6-10-16)12(17)7-8-14-13(3,4)5/h11,14,16H,6-10H2,1-5H3.
What are the key properties of 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 54916197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).