4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide

C14H27N3O3 — CID 83096882

IUPAC4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCCC(C)NCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C14H27N3O3/c1-5-11(4)15-8-13(18)17-6-7-20-9-12(17)14(19)16-10(2)3/h10-12,15H,5-9H2,1-4H3,(H,16,19)
InChIKeyBDWSRYZJIFOCLJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.13
Rot. Bonds6

About 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83096882) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83096882
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCCC(C)NCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C14H27N3O3/c1-5-11(4)15-8-13(18)17-6-7-20-9-12(17)14(19)16-10(2)3/h10-12,15H,5-9H2,1-4H3,(H,16,19)
InChIKeyBDWSRYZJIFOCLJ-UHFFFAOYSA-N
XLogP0.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-[3-(ethylamino)-2-methylpropanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098665
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490
4-(2-piperidin-3-ylacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099192

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83096882) is 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide is CCC(C)NCC(=O)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is BDWSRYZJIFOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-11(4)15-8-13(18)17-6-7-20-9-12(17)14(19)16-10(2)3/h10-12,15H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83096882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).