3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide

C13H27N3O2 — CID 114399970

IUPAC3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
SMILESCCN1CCOC(CNC(=O)CC(N)C(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-4-16-5-6-18-11(9-16)8-15-13(17)7-12(14)10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyXVWOMMUAKSSDHS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds6

About 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide (PubChem CID 114399970) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
PubChem CID114399970
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
SMILESCCN1CCOC(CNC(=O)CC(N)C(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-4-16-5-6-18-11(9-16)8-15-13(17)7-12(14)10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyXVWOMMUAKSSDHS-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
N-[(4-ethylmorpholin-2-yl)methyl]-2-piperazin-1-ylacetamide
CID 114399910
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104921095
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide?
The IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide (CID 114399970) is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide?
The canonical SMILES for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide is CCN1CCOC(CNC(=O)CC(N)C(C)C)C1.
What is the InChIKey of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide?
The InChIKey is XVWOMMUAKSSDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-16-5-6-18-11(9-16)8-15-13(17)7-12(14)10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide?
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 114399970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).