2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide

C11H23N3O3 — CID 112700885

IUPAC2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
SMILESCOCCNC(=O)CCNC(=O)C(N)C(C)C
InChIInChI=1S/C11H23N3O3/c1-8(2)10(12)11(16)14-5-4-9(15)13-6-7-17-3/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyXBIHWSBXMBUOFY-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.76
Rot. Bonds8

About 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide

2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide (PubChem CID 112700885) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
PubChem CID112700885
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
SMILESCOCCNC(=O)CCNC(=O)C(N)C(C)C
InChIInChI=1S/C11H23N3O3/c1-8(2)10(12)11(16)14-5-4-9(15)13-6-7-17-3/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyXBIHWSBXMBUOFY-UHFFFAOYSA-N
XLogP-0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 103794522
2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 115733718
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid
CID 116537456
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide (CID 112700885) is 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide is COCCNC(=O)CCNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide?
The InChIKey is XBIHWSBXMBUOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(2)10(12)11(16)14-5-4-9(15)13-6-7-17-3/h8,10H,4-7,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide?
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide has a molecular weight of 245.32 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide is sourced from PubChem (CID 112700885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).