2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide

C15H31N3O3 — CID 62477972

IUPAC2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
SMILESCOCCC(N)C(=O)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C15H31N3O3/c1-12(2)10-13(18-5-8-21-9-6-18)11-17-15(19)14(16)4-7-20-3/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyDVQYYXAJSILZHG-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.21
Rot. Bonds9

About 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide

2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide (PubChem CID 62477972) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
PubChem CID62477972
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
SMILESCOCCC(N)C(=O)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C15H31N3O3/c1-12(2)10-13(18-5-8-21-9-6-18)11-17-15(19)14(16)4-7-20-3/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyDVQYYXAJSILZHG-UHFFFAOYSA-N
XLogP0.21
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)pentanamide
CID 103813493
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 65229319
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
CID 119849934
5-amino-N-(4-methyl-2-morpholin-4-ylpentyl)hexanamide
CID 82849469
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
methyl 2-methyl-3-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111936206
N-(2-methoxyethyl)-2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111935274
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide (CID 62477972) is 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide is COCCC(N)C(=O)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
The InChIKey is DVQYYXAJSILZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-12(2)10-13(18-5-8-21-9-6-18)11-17-15(19)14(16)4-7-20-3/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide?
2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide has a molecular weight of 301.43 g/mol, XLogP of 0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide is sourced from PubChem (CID 62477972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).