(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide

C13H27N3O3 — CID 61163445

IUPAC(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
SMILESCOCCCNC(=O)CN(C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H27N3O3/c1-10(2)8-11(14)13(18)16(3)9-12(17)15-6-5-7-19-4/h10-11H,5-9,14H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyYULDUWRBMDPXNV-NSHDSACASA-N
MW273.38 g/mol
LogP-0.03
Rot. Bonds9

About (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide

(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide (PubChem CID 61163445) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
PubChem CID61163445
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
SMILESCOCCCNC(=O)CN(C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H27N3O3/c1-10(2)8-11(14)13(18)16(3)9-12(17)15-6-5-7-19-4/h10-11H,5-9,14H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyYULDUWRBMDPXNV-NSHDSACASA-N
XLogP-0.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide with MolForge

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Related Compounds

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
CID 61163444
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
CID 54873029
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide (CID 61163445) is (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide is COCCCNC(=O)CN(C)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide?
The InChIKey is YULDUWRBMDPXNV-NSHDSACASA-N. The full InChI is InChI=1S/C13H27N3O3/c1-10(2)8-11(14)13(18)16(3)9-12(17)15-6-5-7-19-4/h10-11H,5-9,14H2,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide?
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide has a molecular weight of 273.38 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 61163445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).