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

C24H50N6O4 — CID 71150328

IUPAC2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCN1CCOCC1.CCC(C)C(N)C(=O)NCCN1CCOCC1
InChIInChI=1S/2C12H25N3O2/c2*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h2*10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeySSVCSZXDQRHHOM-UHFFFAOYSA-N
MW486.70 g/mol
LogP-0.38
Rot. Bonds12

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

2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 71150328) has the molecular formula C24H50N6O4 and a molecular weight of 486.70 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID71150328
Molecular FormulaC24H50N6O4
Molecular Weight486.70 g/mol
Exact Mass486.39
IUPAC Name2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCN1CCOCC1.CCC(C)C(N)C(=O)NCCN1CCOCC1
InChIInChI=1S/2C12H25N3O2/c2*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h2*10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeySSVCSZXDQRHHOM-UHFFFAOYSA-N
XLogP-0.38
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.70
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 71150328) is 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is CCC(C)C(N)C(=O)NCCN1CCOCC1.CCC(C)C(N)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is SSVCSZXDQRHHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25N3O2/c2*1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h2*10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 486.70 g/mol, XLogP of -0.38, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 71150328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).