2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide

C10H20N4O4 — CID 113407032

IUPAC2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C10H20N4O4/c1-6(8(15)12-4-5-18-3)13-7(2)9(16)14-10(11)17/h6-7,13H,4-5H2,1-3H3,(H,12,15)(H3,11,14,16,17)
InChIKeyQVHXZHPJPNVJDZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-1.69
Rot. Bonds7

About 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide

2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 113407032) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID113407032
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Name2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C10H20N4O4/c1-6(8(15)12-4-5-18-3)13-7(2)9(16)14-10(11)17/h6-7,13H,4-5H2,1-3H3,(H,12,15)(H3,11,14,16,17)
InChIKeyQVHXZHPJPNVJDZ-UHFFFAOYSA-N
XLogP-1.69
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106344814
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2-methoxyethyl)propanamide
CID 66106825
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
N-carbamoyl-2-(3-methylpentan-2-ylamino)propanamide
CID 61463420
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
CID 107899218

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide (CID 113407032) is 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NC(C)C(=O)NC(N)=O.
What is the InChIKey of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is QVHXZHPJPNVJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-6(8(15)12-4-5-18-3)13-7(2)9(16)14-10(11)17/h6-7,13H,4-5H2,1-3H3,(H,12,15)(H3,11,14,16,17).
What are the key properties of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide?
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 260.29 g/mol, XLogP of -1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113407032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).