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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide
CID 11615984
Ethyl N-((5-methyl-2-(isopropyl)cyclohexyl)carbonyl)glycinate
CID 11521869
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
methyl N-[(4-methylcyclohexyl)carbonyl]isoleucylvalinate
CID 3242508
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexanecarboxamide
CID 15991680
Beauveriolide IV
CID 10202658
ethyl 4-{N-[(4-methylcyclohexyl)carbonyl]valyl}piperazine-1-carboxylate
CID 3241156
4-ethyl-N-(3-methyl-1-{[2-(morpholin-4-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3390135
methyl N-[(4-methylcyclohexyl)carbonyl]leucylvalinate
CID 9550205
Methyl 2-{2-[(4-hexylcyclohexyl)formamido]-4-(methylsulfanyl)butanamido}-3-methylbutanoate
CID 9551522

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).