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

C20H37NO3 — CID 67262770

IUPACbutan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
SMILESCCC(C)OC(=O)C(CC)N(C)C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H37NO3/c1-8-15(6)24-20(23)18(9-2)21(7)19(22)17-12-14(5)10-11-16(17)13(3)4/h13-18H,8-12H2,1-7H3/t14-,15?,16+,17-,18?/m1/s1
InChIKeyVKTWBDDZQFTIPK-NGPICZKLSA-N
MW339.52 g/mol
LogP4.27
Rot. Bonds7

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

butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate (PubChem CID 67262770) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate.

Molecular Properties

Compound Namebutan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
PubChem CID67262770
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Namebutan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
SMILESCCC(C)OC(=O)C(CC)N(C)C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H37NO3/c1-8-15(6)24-20(23)18(9-2)21(7)19(22)17-12-14(5)10-11-16(17)13(3)4/h13-18H,8-12H2,1-7H3/t14-,15?,16+,17-,18?/m1/s1
InChIKeyVKTWBDDZQFTIPK-NGPICZKLSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 67262784
butyl (2R)-2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262806
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
CID 173436391
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
3-hydroxybutan-2-yl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 24898819
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
The IUPAC name of butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate (CID 67262770) is butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate.
What is the SMILES notation for butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
The canonical SMILES for butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate is CCC(C)OC(=O)C(CC)N(C)C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
The InChIKey is VKTWBDDZQFTIPK-NGPICZKLSA-N. The full InChI is InChI=1S/C20H37NO3/c1-8-15(6)24-20(23)18(9-2)21(7)19(22)17-12-14(5)10-11-16(17)13(3)4/h13-18H,8-12H2,1-7H3/t14-,15?,16+,17-,18?/m1/s1.
What are the key properties of butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate?
butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate has a molecular weight of 339.52 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate is sourced from PubChem (CID 67262770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).