2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide

C12H25N3O2 — CID 67173730

IUPAC2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide
SMILESCCC(C)C(N)(CCN1CCOCC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-3-10(2)12(14,11(13)16)4-5-15-6-8-17-9-7-15/h10H,3-9,14H2,1-2H3,(H2,13,16)
InChIKeyQSEFXGUVMLBXPM-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide

2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 67173730) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide
PubChem CID67173730
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide
SMILESCCC(C)C(N)(CCN1CCOCC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-3-10(2)12(14,11(13)16)4-5-15-6-8-17-9-7-15/h10H,3-9,14H2,1-2H3,(H2,13,16)
InChIKeyQSEFXGUVMLBXPM-UHFFFAOYSA-N
XLogP-0.06
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 21691255
CID 21691255
CID 67135823
CID 67135823
CID 67172844
CID 67172844
CID 67172845
CID 67172845
CID 67173200
CID 67173200
CID 67173731
CID 67173731
CID 67246224
CID 67246224
CID 67246746
CID 67246746
CID 67248756
CID 67248756
CID 70093341
CID 70093341
CID 70298332
CID 70298332
CID 71093497
CID 71093497

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide (CID 67173730) is 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide is CCC(C)C(N)(CCN1CCOCC1)C(N)=O.
What is the InChIKey of 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is QSEFXGUVMLBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(2)12(14,11(13)16)4-5-15-6-8-17-9-7-15/h10H,3-9,14H2,1-2H3,(H2,13,16).
What are the key properties of 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 243.35 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 67173730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).