2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide

C11H23N3O3 — CID 62472504

IUPAC2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CN(C)C(=O)C(N)CCOC
InChIInChI=1S/C11H23N3O3/c1-4-6-13-10(15)8-14(2)11(16)9(12)5-7-17-3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKNGRTHVUWUQSQH-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.67
Rot. Bonds8

About 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide

2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide (PubChem CID 62472504) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
PubChem CID62472504
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CN(C)C(=O)C(N)CCOC
InChIInChI=1S/C11H23N3O3/c1-4-6-13-10(15)8-14(2)11(16)9(12)5-7-17-3/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKNGRTHVUWUQSQH-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-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
CID 54873029
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
CID 61163444
(2R)-2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
CID 103795683
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
(2R)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 107570541
2-amino-5-methoxy-N-propylpentanamide
CID 81082005

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide (CID 62472504) is 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide is CCCNC(=O)CN(C)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The InChIKey is KNGRTHVUWUQSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-6-13-10(15)8-14(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-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide 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-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 62472504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).