4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide

C14H27N3O3 — CID 83097999

IUPAC4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CCNC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-5-15-13(19)11-10-20-9-8-17(11)12(18)6-7-16-14(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,19)
InChIKeyGLGDPPVLCHNGGK-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.13
Rot. Bonds5

About 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide

4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83097999) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83097999
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CCNC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-5-15-13(19)11-10-20-9-8-17(11)12(18)6-7-16-14(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,19)
InChIKeyGLGDPPVLCHNGGK-UHFFFAOYSA-N
XLogP0.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
CID 83099413
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876

Frequently Asked Questions

What is the IUPAC name of 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide (CID 83097999) is 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)CCNC(C)(C)C.
What is the InChIKey of 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is GLGDPPVLCHNGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-15-13(19)11-10-20-9-8-17(11)12(18)6-7-16-14(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,19).
What are the key properties of 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide?
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83097999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).