methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate

C16H24N2O3 — CID 63107982

IUPACmethyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
SMILESCCNc1ccccc1C(=O)NC(C(=O)OC)C(C)CC
InChIInChI=1S/C16H24N2O3/c1-5-11(3)14(16(20)21-4)18-15(19)12-9-7-8-10-13(12)17-6-2/h7-11,14,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyHMYNVMBBTYNZCC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.44
Rot. Bonds7

About methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate

methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate (PubChem CID 63107982) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
PubChem CID63107982
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
SMILESCCNc1ccccc1C(=O)NC(C(=O)OC)C(C)CC
InChIInChI=1S/C16H24N2O3/c1-5-11(3)14(16(20)21-4)18-15(19)12-9-7-8-10-13(12)17-6-2/h7-11,14,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyHMYNVMBBTYNZCC-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methylpentanoate
CID 59948762
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl 2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate
CID 40597076
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
N-but-3-yn-2-yl-2-(ethylamino)benzamide
CID 114418246
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
CID 62175664
methyl (2S,3S)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoate
CID 91110567

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate (CID 63107982) is methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate is CCNc1ccccc1C(=O)NC(C(=O)OC)C(C)CC.
What is the InChIKey of methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate?
The InChIKey is HMYNVMBBTYNZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-11(3)14(16(20)21-4)18-15(19)12-9-7-8-10-13(12)17-6-2/h7-11,14,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate?
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate is sourced from PubChem (CID 63107982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).