2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide

C9H19N3O4 — CID 112673851

IUPAC2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NOCC(N)=O
InChIInChI=1S/C9H19N3O4/c1-7(12-16-6-8(10)13)9(14)11-4-3-5-15-2/h7,12H,3-6H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyCPFLASOUJMXLEK-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.47
Rot. Bonds9

About 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide

2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide (PubChem CID 112673851) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide
PubChem CID112673851
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NOCC(N)=O
InChIInChI=1S/C9H19N3O4/c1-7(12-16-6-8(10)13)9(14)11-4-3-5-15-2/h7,12H,3-6H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyCPFLASOUJMXLEK-UHFFFAOYSA-N
XLogP-1.47
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethoxy)amino]-N-pentylpropanamide
CID 112673608
2-[(2-amino-2-oxoethoxy)amino]-N-methylpropanamide
CID 112673732
3-methoxypropylurea
CID 2064040
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methoxypropyl)propanamide
CID 82937481
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-(3-methoxypropylcarbamothioylamino)acetamide
CID 115605893

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide (CID 112673851) is 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NOCC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is CPFLASOUJMXLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-7(12-16-6-8(10)13)9(14)11-4-3-5-15-2/h7,12H,3-6H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide?
2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 233.27 g/mol, XLogP of -1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 112673851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).