methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate

C19H27NO5 — CID 133229936

IUPACmethyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate
SMILESCCCCOc1ccc(NC(=O)C(C)(OC)C2CC2)cc1C(=O)OC
InChIInChI=1S/C19H27NO5/c1-5-6-11-25-16-10-9-14(12-15(16)17(21)23-3)20-18(22)19(2,24-4)13-7-8-13/h9-10,12-13H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyQGYRKMSTTXGYKV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.41
Rot. Bonds9

About methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate

methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate (PubChem CID 133229936) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate
PubChem CID133229936
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namemethyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate
SMILESCCCCOc1ccc(NC(=O)C(C)(OC)C2CC2)cc1C(=O)OC
InChIInChI=1S/C19H27NO5/c1-5-6-11-25-16-10-9-14(12-15(16)17(21)23-3)20-18(22)19(2,24-4)13-7-8-13/h9-10,12-13H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyQGYRKMSTTXGYKV-UHFFFAOYSA-N
XLogP3.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844
methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate
CID 100763279
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779
methyl 2-butoxy-5-[(2-methyl-2-propoxyhexanoyl)amino]benzoate
CID 133205347
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
methyl 2-butoxy-5-[(2-methyl-2-propoxypentanoyl)amino]benzoate
CID 133204105
methyl 5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]-2-propoxybenzoate
CID 100765782
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100709951
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate
CID 133230051

Frequently Asked Questions

What is the IUPAC name of methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate?
The IUPAC name of methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate (CID 133229936) is methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate.
What is the SMILES notation for methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate?
The canonical SMILES for methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate is CCCCOc1ccc(NC(=O)C(C)(OC)C2CC2)cc1C(=O)OC.
What is the InChIKey of methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate?
The InChIKey is QGYRKMSTTXGYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-5-6-11-25-16-10-9-14(12-15(16)17(21)23-3)20-18(22)19(2,24-4)13-7-8-13/h9-10,12-13H,5-8,11H2,1-4H3,(H,20,22).
What are the key properties of methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate?
methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate has a molecular weight of 349.43 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate is sourced from PubChem (CID 133229936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).