methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate

C15H28N2O3 — CID 62026217

IUPACmethyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NC1CCCCC1C
InChIInChI=1S/C15H28N2O3/c1-4-17(10-9-15(19)20-3)11-14(18)16-13-8-6-5-7-12(13)2/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyYNHQQJCKILKNTL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds7

About methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate

methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate (PubChem CID 62026217) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate
PubChem CID62026217
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NC1CCCCC1C
InChIInChI=1S/C15H28N2O3/c1-4-17(10-9-15(19)20-3)11-14(18)16-13-8-6-5-7-12(13)2/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyYNHQQJCKILKNTL-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
methyl 3-[benzyl-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]amino]propanoate
CID 52502765
methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
CID 62026607
N-(2-methylcyclohexyl)butanamide
CID 47005567
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656905
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 66182805
2-(diethylamino)-N-[(2S,6S)-2,6-dimethylcyclohexyl]acetamide
CID 131855382
methyl 3-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-ethylamino]propanoate
CID 62028107
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
methyl 3-[[2-(butylamino)-2-oxoethyl]-ethylamino]propanoate
CID 62026967
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate (CID 62026217) is methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate is CCN(CCC(=O)OC)CC(=O)NC1CCCCC1C.
What is the InChIKey of methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate?
The InChIKey is YNHQQJCKILKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(10-9-15(19)20-3)11-14(18)16-13-8-6-5-7-12(13)2/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate?
methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 62026217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).