4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide

C15H29N3O3 — CID 83097281

IUPAC4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)CC(CN)C(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C15H29N3O3/c1-10(2)7-12(8-16)15(20)18-5-6-21-9-13(18)14(19)17-11(3)4/h10-13H,5-9,16H2,1-4H3,(H,17,19)
InChIKeySUMITJGMDOICES-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.36
Rot. Bonds6

About 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83097281) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83097281
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)CC(CN)C(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C15H29N3O3/c1-10(2)7-12(8-16)15(20)18-5-6-21-9-13(18)14(19)17-11(3)4/h10-13H,5-9,16H2,1-4H3,(H,17,19)
InChIKeySUMITJGMDOICES-UHFFFAOYSA-N
XLogP0.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
4-[3-(ethylamino)-2-methylpropanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098665
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
CID 83098645
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098809
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83097281) is 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)CC(CN)C(=O)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is SUMITJGMDOICES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(2)7-12(8-16)15(20)18-5-6-21-9-13(18)14(19)17-11(3)4/h10-13H,5-9,16H2,1-4H3,(H,17,19).
What are the key properties of 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83097281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).