4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide

C14H29N3O2 — CID 107446496

IUPAC4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1CCNC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-11(2)16-13(18)12-10-19-9-8-17(12)7-6-15-14(3,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyHJIKEGJFFADMBS-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.60
Rot. Bonds5

About 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 107446496) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID107446496
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1CCNC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-11(2)16-13(18)12-10-19-9-8-17(12)7-6-15-14(3,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyHJIKEGJFFADMBS-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 107446496) is 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1CCNC(C)(C)C.
What is the InChIKey of 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is HJIKEGJFFADMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)16-13(18)12-10-19-9-8-17(12)7-6-15-14(3,4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 107446496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).