ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate

C15H28N2O3 — CID 60661333

IUPACethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)NC1CCCCC1C
InChIInChI=1S/C15H28N2O3/c1-3-20-15(19)9-6-10-16-11-14(18)17-13-8-5-4-7-12(13)2/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyDGPTZWMZLJGILE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds8

About ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate

ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate (PubChem CID 60661333) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
PubChem CID60661333
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)NC1CCCCC1C
InChIInChI=1S/C15H28N2O3/c1-3-20-15(19)9-6-10-16-11-14(18)17-13-8-5-4-7-12(13)2/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyDGPTZWMZLJGILE-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375
4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473587
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463
ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate
CID 28582368
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465971
ethyl 4-[(2,6-dimethylcyclohexyl)amino]butanoate
CID 64580844
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)butanamide
CID 47005567
ethyl 4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]butanoate
CID 60687916
ethyl 4-[(2-ethylcyclohexyl)amino]butanoate
CID 64580465
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate (CID 60661333) is ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate is CCOC(=O)CCCNCC(=O)NC1CCCCC1C.
What is the InChIKey of ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate?
The InChIKey is DGPTZWMZLJGILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-20-15(19)9-6-10-16-11-14(18)17-13-8-5-4-7-12(13)2/h12-13,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate?
ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate has a molecular weight of 284.40 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 60661333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).