2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide

C11H23N3O3 — CID 62473775

IUPAC2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)NC)C(=O)C(N)CCOC
InChIInChI=1S/C11H23N3O3/c1-4-6-14(8-10(15)13-2)11(16)9(12)5-7-17-3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKESNTOMTYUTSJN-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.67
Rot. Bonds8

About 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide

2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide (PubChem CID 62473775) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
PubChem CID62473775
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)NC)C(=O)C(N)CCOC
InChIInChI=1S/C11H23N3O3/c1-4-6-14(8-10(15)13-2)11(16)9(12)5-7-17-3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKESNTOMTYUTSJN-UHFFFAOYSA-N
XLogP-0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 62473961
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
ethyl 3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]butanoate
CID 116537910
(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide
CID 93373549
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-propylpropanamide
CID 81088934
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide
CID 76925117
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
The IUPAC name of 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide (CID 62473775) is 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide is CCCN(CC(=O)NC)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
The InChIKey is KESNTOMTYUTSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-6-14(8-10(15)13-2)11(16)9(12)5-7-17-3/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide has a molecular weight of 245.32 g/mol, XLogP of -0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide is sourced from PubChem (CID 62473775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).