ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate

C19H34N2O4 — CID 3236211

IUPACethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(NC(=O)C1CCC(CC)CC1)C(C)C
InChIInChI=1S/C19H34N2O4/c1-6-14-8-10-15(11-9-14)17(22)21-16(12(3)4)18(23)20-13(5)19(24)25-7-2/h12-16H,6-11H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyWOGKBPFEBZPNHF-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.41
Rot. Bonds8

About ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate

ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate (PubChem CID 3236211) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate
PubChem CID3236211
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Nameethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(NC(=O)C1CCC(CC)CC1)C(C)C
InChIInChI=1S/C19H34N2O4/c1-6-14-8-10-15(11-9-14)17(22)21-16(12(3)4)18(23)20-13(5)19(24)25-7-2/h12-16H,6-11H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyWOGKBPFEBZPNHF-UHFFFAOYSA-N
XLogP2.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate (CID 3236211) is ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate is CCOC(=O)C(C)NC(=O)C(NC(=O)C1CCC(CC)CC1)C(C)C.
What is the InChIKey of ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate?
The InChIKey is WOGKBPFEBZPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-6-14-8-10-15(11-9-14)17(22)21-16(12(3)4)18(23)20-13(5)19(24)25-7-2/h12-16H,6-11H2,1-5H3,(H,20,23)(H,21,22).
What are the key properties of ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate?
ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate has a molecular weight of 354.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]propanoate is sourced from PubChem (CID 3236211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).