1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate

C13H26N2O3 — CID 87969283

IUPAC1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate
SMILESCCCNC(=O)C(C)(C)NC(C)OC(=O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-7-8-14-12(17)13(5,6)15-10(4)18-11(16)9(2)3/h9-10,15H,7-8H2,1-6H3,(H,14,17)
InChIKeyYEKKXIWGQWXYMC-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.43
Rot. Bonds7

About 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate

1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate (PubChem CID 87969283) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate
PubChem CID87969283
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate
SMILESCCCNC(=O)C(C)(C)NC(C)OC(=O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-7-8-14-12(17)13(5,6)15-10(4)18-11(16)9(2)3/h9-10,15H,7-8H2,1-6H3,(H,14,17)
InChIKeyYEKKXIWGQWXYMC-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
[(1S)-2-methyl-1-(propylcarbamoyloxy)propyl] 2-methylpropanoate
CID 173052886
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
2-iodo-N-propylpropanamide
CID 64787589
ethyl (2R)-4-(2,2-dimethylpropanoylamino)-2-methylbutanoate
CID 143719664
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate?
The IUPAC name of 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate (CID 87969283) is 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate.
What is the SMILES notation for 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate?
The canonical SMILES for 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate is CCCNC(=O)C(C)(C)NC(C)OC(=O)C(C)C.
What is the InChIKey of 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate?
The InChIKey is YEKKXIWGQWXYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-8-14-12(17)13(5,6)15-10(4)18-11(16)9(2)3/h9-10,15H,7-8H2,1-6H3,(H,14,17).
What are the key properties of 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate?
1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate has a molecular weight of 258.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl 2-methylpropanoate is sourced from PubChem (CID 87969283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).