N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide

C13H27N3O2 — CID 79172289

IUPACN-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCC1CN(C)CCO1
InChIInChI=1S/C13H27N3O2/c1-4-11(2)15-13(17)5-6-14-9-12-10-16(3)7-8-18-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeySXYLVQLQRHPDJZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds7

About N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide

N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide (PubChem CID 79172289) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
PubChem CID79172289
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCC1CN(C)CCO1
InChIInChI=1S/C13H27N3O2/c1-4-11(2)15-13(17)5-6-14-9-12-10-16(3)7-8-18-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeySXYLVQLQRHPDJZ-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
CID 79071738
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide
CID 115889192
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide (CID 79172289) is N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide is CCC(C)NC(=O)CCNCC1CN(C)CCO1.
What is the InChIKey of N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
The InChIKey is SXYLVQLQRHPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-11(2)15-13(17)5-6-14-9-12-10-16(3)7-8-18-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide?
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide is sourced from PubChem (CID 79172289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).