methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate

C20H29NO5 — CID 133229890

IUPACmethyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
SMILESCCCOc1ccc(NC(=O)C2(OC)CCCC(C)C2)cc1C(=O)OC
InChIInChI=1S/C20H29NO5/c1-5-11-26-17-9-8-15(12-16(17)18(22)24-3)21-19(23)20(25-4)10-6-7-14(2)13-20/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,21,23)
InChIKeyQGTNBYKBYZNXHL-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.80
Rot. Bonds7

About methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate

methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate (PubChem CID 133229890) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
PubChem CID133229890
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Namemethyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
SMILESCCCOc1ccc(NC(=O)C2(OC)CCCC(C)C2)cc1C(=O)OC
InChIInChI=1S/C20H29NO5/c1-5-11-26-17-9-8-15(12-16(17)18(22)24-3)21-19(23)20(25-4)10-6-7-14(2)13-20/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,21,23)
InChIKeyQGTNBYKBYZNXHL-UHFFFAOYSA-N
XLogP3.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate with MolForge

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Related Compounds

ethyl 5-[[(1S,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100757005
methyl 5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100762284
methyl 2-ethoxy-5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756804
methyl 5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100756892
ethyl 2-ethoxy-5-[[(1S,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756963
ethyl 2-ethoxy-5-[[(1S,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756976
ethyl 5-[[(1S,3S)-3-methyl-1-propoxycyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100767818
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269
methyl 5-[[(1R,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100756839
methyl 2-butoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756523
ethyl 2-butoxy-5-[(1-ethoxy-3-methylcyclohexanecarbonyl)amino]benzoate
CID 133203950
trans-(1R,3S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707699

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate?
The IUPAC name of methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate (CID 133229890) is methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate.
What is the SMILES notation for methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate?
The canonical SMILES for methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate is CCCOc1ccc(NC(=O)C2(OC)CCCC(C)C2)cc1C(=O)OC.
What is the InChIKey of methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate?
The InChIKey is QGTNBYKBYZNXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-5-11-26-17-9-8-15(12-16(17)18(22)24-3)21-19(23)20(25-4)10-6-7-14(2)13-20/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,21,23).
What are the key properties of methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate?
methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate has a molecular weight of 363.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-methoxy-3-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate is sourced from PubChem (CID 133229890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).