butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate

C20H37NO3 — CID 67262806

IUPACbutyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
SMILESCCCCOC(=O)[C@@H](CC)N(C)C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H37NO3/c1-7-9-12-24-20(23)18(8-2)21(6)19(22)17-13-15(5)10-11-16(17)14(3)4/h14-18H,7-13H2,1-6H3/t15-,16+,17-,18-/m1/s1
InChIKeyFTCWMROPFRYMQP-XMTFNYHQSA-N
MW339.52 g/mol
LogP4.28
Rot. Bonds8

About butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate

butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate (PubChem CID 67262806) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate.

Molecular Properties

Compound Namebutyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
PubChem CID67262806
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Namebutyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
SMILESCCCCOC(=O)[C@@H](CC)N(C)C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H37NO3/c1-7-9-12-24-20(23)18(8-2)21(6)19(22)17-13-15(5)10-11-16(17)14(3)4/h14-18H,7-13H2,1-6H3/t15-,16+,17-,18-/m1/s1
InChIKeyFTCWMROPFRYMQP-XMTFNYHQSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate with MolForge

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Launch Full Analysis

Related Compounds

butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262770
butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 67262784
butyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262789
butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate
CID 67262827
hexyl 2-[methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]propanoate
CID 91693850
heptyl 2-[methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]propanoate
CID 91693851
propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
CID 173436391
butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 63416740
2-O-(5-methyl-2-propan-2-ylcyclohexyl) 1-O-pentyl oxalate
CID 6421326
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 154148941

Frequently Asked Questions

What is the IUPAC name of butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
The IUPAC name of butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate (CID 67262806) is butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate.
What is the SMILES notation for butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
The canonical SMILES for butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate is CCCCOC(=O)[C@@H](CC)N(C)C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
The InChIKey is FTCWMROPFRYMQP-XMTFNYHQSA-N. The full InChI is InChI=1S/C20H37NO3/c1-7-9-12-24-20(23)18(8-2)21(6)19(22)17-13-15(5)10-11-16(17)14(3)4/h14-18H,7-13H2,1-6H3/t15-,16+,17-,18-/m1/s1.
What are the key properties of butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate has a molecular weight of 339.52 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate is sourced from PubChem (CID 67262806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).